From 5d1fc9b5b8e9fcdc556d15a5d656b468c033102b Mon Sep 17 00:00:00 2001 From: jinzx10 Date: Tue, 12 Nov 2024 14:26:29 +0800 Subject: [PATCH 1/6] multicollinear LDA & GGA (implemented by Xiaoyu Zhang) --- .../module_xc/CMakeLists.txt | 6 ++ .../module_xc/xc_functional.h | 14 +++ .../module_xc/xc_functional_libxc_vxc.cpp | 86 ++++++++++++++++++- .../module_xc/xc_functional_vxc.cpp | 68 ++++++++++++++- .../module_io/read_input_item_elec_stru.cpp | 8 +- source/module_parameter/input_parameter.h | 1 + 6 files changed, 178 insertions(+), 5 deletions(-) diff --git a/source/module_hamilt_general/module_xc/CMakeLists.txt b/source/module_hamilt_general/module_xc/CMakeLists.txt index 4db1ef083d..9a2f872dbb 100644 --- a/source/module_hamilt_general/module_xc/CMakeLists.txt +++ b/source/module_hamilt_general/module_xc/CMakeLists.txt @@ -17,6 +17,12 @@ add_library( xc_functional_libxc_wrapper_xc.cpp xc_functional_libxc_wrapper_gcxc.cpp xc_functional_libxc_wrapper_tauxc.cpp + NCLibxc/NCLibxc.cpp + NCLibxc/NCLibxc.h + NCLibxc/interface_to_libxc.cpp + NCLibxc/interface_to_libxc.h + NCLibxc/LebedevGrid.cpp + xc_functional_NCLibxc_gga.cpp ) if(ENABLE_COVERAGE) diff --git a/source/module_hamilt_general/module_xc/xc_functional.h b/source/module_hamilt_general/module_xc/xc_functional.h index ac9c75256a..181fcbffe9 100644 --- a/source/module_hamilt_general/module_xc/xc_functional.h +++ b/source/module_hamilt_general/module_xc/xc_functional.h @@ -20,6 +20,10 @@ #include "module_elecstate/module_charge/charge.h" #include "module_cell/unitcell.h" +// for multi-collinear approach +using Matrix2x2 = std::array, 2>, 2>; +std::vector> MakeAngularGrid(int grid_level); + class XC_Functional { public: @@ -308,6 +312,16 @@ class XC_Functional static void hcth(const double rho, const double grho, double &sx, double &v1x, double &v2x); static void pwcorr(const double r, const double c[], double &g, double &dg); +//------------------- +// xc_functional_NCLibxc_gga.cpp +//------------------- +// This file is for implementing multi-collinear appraoch for GGA functionals. + static void postlibxc_gga(int xc_id, const std::vector& rho_up, const std::vector& rho_down, + std::vector& e, std::vector& v1, std::vector& v2, + std::vector& f1, std::vector& f2, std::vector& f3,const Charge* const chr,const double tpiba); + static std::pair, std::vector> gga_mc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz,const Charge* const chr,const double tpiba); + }; #endif //XC_FUNCTION_H diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp index 8b270cd233..b331a5bf0e 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp @@ -9,6 +9,8 @@ #include "module_base/timer.h" #include "module_base/tool_title.h" +#include "NCLibxc/NCLibxc.h" + #include #include @@ -122,6 +124,88 @@ std::tuple XC_Functional_Libxc::v_xc_libxc( / if(4==PARAM.inp.nspin) { v = XC_Functional_Libxc::convert_v_nspin4(nrxx, chr, amag, v); + if(PARAM.inp.multicolin)// added by Xiaoyu Zhang, Peking University, 2024.10.09. multicollinear method + { + ModuleBase::matrix v_nspin4(PARAM.inp.nspin, nrxx); + etxc=0; + vtxc=0; + std::complex twoi(0.0, 2.0); + std::complex two(2.0, 0.0); + double e2=2.0; + + NCLibxc::print_NCLibxc(); + if(!is_gga) + { //LDA +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) reduction(+:etxc) reduction(+:vtxc) +#endif + for(int ir = 0;ir n = {chr->rho[0][ir] + chr->rho_core[ir]}; + std::vector mx = {chr->rho[1][ir]}; + std::vector my = {chr->rho[2][ir]}; + std::vector mz = {chr->rho[3][ir]}; + double amag = sqrt( pow(chr->rho[1][ir],2) + pow(chr->rho[2][ir],2) + pow(chr->rho[3][ir],2) ); + if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive + continue; + } + for(const int &id : func_id){ + auto [E_MC, V_MC] = NCLibxc::lda_mc(id, n, mx, my, mz); + exc = e2*E_MC[0]; + v_nspin4(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); + v_nspin4(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); + v_nspin4(2, ir) += std::real(e2*(V_MC[0][1][0]-V_MC[0][0][1])/twoi); + v_nspin4(3, ir) += std::real(e2*(V_MC[0][0][0]-V_MC[0][1][1])/two); + etxc += exc * n[0]; + vtxc += v_nspin4(0, ir) * chr->rho[0][ir] + v_nspin4(1, ir) * mx[0] + v_nspin4(2, ir) * my[0] + v_nspin4(3, ir) * mz[0];// vtxc is used the calculation of the total energy(Ts more specifically), because abacus doesn't directly programme the kinetic operator and instead uses the sum of occupied orbital energy + // the reason why i use chr->rho here is not clear. It is based on the implementation in v_xc. + } + } + } + else + { // gga + // 初始化所有格点的数组 + std::vector n(nrxx); + std::vector mx(nrxx); + std::vector my(nrxx); + std::vector mz(nrxx); + std::vector amag(nrxx); + + for (int ir = 0; ir < nrxx; ++ir) { + n[ir] = chr->rho[0][ir] + chr->rho_core[ir]; + mx[ir] = chr->rho[1][ir]; + my[ir] = chr->rho[2][ir]; + mz[ir] = chr->rho[3][ir]; + amag[ir] = sqrt(pow(chr->rho[1][ir], 2) + pow(chr->rho[2][ir], 2) + pow(chr->rho[3][ir], 2)); + } + + // 确保 rhoup 和 rhodn 为正 + //for (int ir = 0; ir < nrxx; ++ir) { + // if (n[ir] - amag[ir] <= 0.0) { + // continue; + // } + // } + + for (const int& id : func_id) { + auto [E_MC, V_MC] = XC_Functional::gga_mc(id, n, mx, my, mz, chr, tpiba); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) reduction(+:etxc) reduction(+:vtxc) +#endif + for (int ir = 0; ir < nrxx; ++ir) { + double exc = e2 * E_MC[ir]; + v_nspin4(0, ir) += std::real(e2 * (V_MC[ir][0][0] + V_MC[ir][1][1]) / two); + v_nspin4(1, ir) += std::real(e2 * (V_MC[ir][0][1] + V_MC[ir][1][0]) / two); + v_nspin4(2, ir) += std::real(e2 * (V_MC[ir][1][0] - V_MC[ir][0][1]) / twoi); + v_nspin4(3, ir) += std::real(e2 * (V_MC[ir][0][0] - V_MC[ir][1][1]) / two); + etxc += exc * n[ir]; + vtxc += v_nspin4(0, ir) * chr->rho[0][ir] + v_nspin4(1, ir) * mx[ir] + v_nspin4(2, ir) * my[ir] + v_nspin4(3, ir) * mz[ir]; + } + } + } + } } //------------------------------------------------- @@ -392,4 +476,4 @@ std::tuple XC_Functional_Li return std::make_tuple( etxc, vtxc, std::move(v), std::move(vofk) ); } -#endif \ No newline at end of file +#endif diff --git a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp index 7aeb677a78..1e7d8c4339 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp @@ -11,6 +11,16 @@ #ifdef USE_LIBXC #include "xc_functional_libxc.h" +#include "NCLibxc/NCLibxc.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include #endif // [etxc, vtxc, v] = XC_Functional::v_xc(...) @@ -39,6 +49,8 @@ std::tuple XC_Functional::v_xc( // the square of the e charge // in Rydeberg unit, so * 2.0. double e2 = 2.0; + std::complex twoi(0.0, 2.0); + std::complex two(2.0, 0.0); double vanishing_charge = 1.0e-10; @@ -104,8 +116,8 @@ std::tuple XC_Functional::v_xc( } } } - else if(PARAM.inp.nspin == 4)//noncollinear case added by zhengdy - { + else if(PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 0) + { //noncollinear case (Kubler's locally collinear) added by zhengdy #ifdef _OPENMP #pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) #endif @@ -164,13 +176,63 @@ std::tuple XC_Functional::v_xc( }//end if // energy terms, local-density contributions + if (PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1 + && (func_type == 0 || func_type == 1) ) + { // noncollinear case added by Xiaoyu Zhang, Peking University, 2024.10.02. multicollinear method for lda Since NCLibxc needs libxc, this part codes will not be used. + NCLibxc::print_NCLibxc(); +#ifdef _OPENMP +#pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) +#endif + for(int ir = 0;ir n = {chr->rho[0][ir] + chr->rho_core[ir]}; + std::vector mx = {chr->rho[1][ir]}; + std::vector my = {chr->rho[2][ir]}; + std::vector mz = {chr->rho[3][ir]}; + double amag = sqrt( pow(chr->rho[1][ir],2) + pow(chr->rho[2][ir],2) + pow(chr->rho[3][ir],2) ); + if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive + continue; + } + for(const int &id : func_id){ + auto [E_MC, V_MC] = NCLibxc::lda_mc(id, n, mx, my, mz); + exc = e2*E_MC[0]; + v(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); + v(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); + v(2, ir) += std::real(e2*(V_MC[0][1][0]-V_MC[0][0][1])/twoi); + v(3, ir) += std::real(e2*(V_MC[0][0][0]-V_MC[0][1][1])/two); + etxc += exc * n[0]; + vtxc += v(0, ir) * chr->rho[0][ir] + v(1, ir) * chr->rho[1][ir] + v(2, ir) * chr->rho[2][ir] + v(3, ir) * chr->rho[3][ir]; + } + } + } + + // add gradient corrections (if any) // mohan modify 2009-12-15 // the dummy variable dum contains gradient correction to stress // which is not used here std::vector dum; - gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum); + if(PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1) { + if(func_type == 2 || func_type == 3) { + NCLibxc::print_NCLibxc(); + } + if(func_type == 4 || func_type == 5) { + std::cerr << "Error: Multi-collinear approach hasn't support hybrid functioanl yet" << std::endl; + std::exit(EXIT_FAILURE); + } + } else { + gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum); + } // parallel code : collect vtxc,etxc // mohan add 2008-06-01 diff --git a/source/module_io/read_input_item_elec_stru.cpp b/source/module_io/read_input_item_elec_stru.cpp index e039b7f043..6293794609 100644 --- a/source/module_io/read_input_item_elec_stru.cpp +++ b/source/module_io/read_input_item_elec_stru.cpp @@ -280,7 +280,7 @@ void ReadInput::item_elec_stru() item.annotation = "1: single spin; 2: up and down spin; 4: noncollinear spin"; read_sync_int(input.nspin); item.reset_value = [](const Input_Item& item, Parameter& para) { - if (para.input.noncolin || para.input.lspinorb) + if (para.input.noncolin || para.input.lspinorb || para.input.multicolin) { para.input.nspin = 4; } @@ -590,6 +590,12 @@ void ReadInput::item_elec_stru() read_sync_bool(input.noncolin); this->add_item(item); } + { + Input_Item item("multicolin"); + item.annotation = "multi-collinear approach (in development)"; + read_sync_bool(input.multicolin); + this->add_item(item); + } { Input_Item item("soc_lambda"); item.annotation = "The fraction of averaged SOC pseudopotential is " diff --git a/source/module_parameter/input_parameter.h b/source/module_parameter/input_parameter.h index 43b4de56da..27d97e8188 100644 --- a/source/module_parameter/input_parameter.h +++ b/source/module_parameter/input_parameter.h @@ -121,6 +121,7 @@ struct Input_para bool lspinorb = false; ///< consider the spin-orbit interaction bool noncolin = false; ///< using non-collinear-spin + bool multicolin = false; ///< multi-collinear approach (in development) double soc_lambda = 1.0; ///< The fraction of averaged SOC pseudopotential ///< is given by (1-soc_lambda) From 71625302d231c802e91666bd57b41b39e2b85a66 Mon Sep 17 00:00:00 2001 From: jinzx10 Date: Tue, 12 Nov 2024 14:36:20 +0800 Subject: [PATCH 2/6] add missed files --- .../module_xc/NCLibxc/LebedevGrid.cpp | 6465 +++++++++++++++++ .../module_xc/NCLibxc/NCLibxc.cpp | 311 + .../module_xc/NCLibxc/NCLibxc.h | 54 + .../module_xc/NCLibxc/interface_to_libxc.cpp | 1049 +++ .../module_xc/NCLibxc/interface_to_libxc.h | 78 + .../module_xc/NCLibxc/test_NCLibxc.cpp | 72 + .../module_xc/xc_functional_NCLibxc_gga.cpp | 245 + 7 files changed, 8274 insertions(+) create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/LebedevGrid.cpp create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h create mode 100755 source/module_hamilt_general/module_xc/NCLibxc/test_NCLibxc.cpp create mode 100755 source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp diff --git a/source/module_hamilt_general/module_xc/NCLibxc/LebedevGrid.cpp b/source/module_hamilt_general/module_xc/NCLibxc/LebedevGrid.cpp new file mode 100755 index 0000000000..a756feab47 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/LebedevGrid.cpp @@ -0,0 +1,6465 @@ +// Programmed by Xiaoyu Zhang at Peking University, Beijing, China 2024/08/24 + +//Reference:[1] V.I. Lebedev, and D.N. Laikov +// "A quadrature formula for the sphere of the 131st +// algebraic order of accuracy" +// Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481. + +//Independent test is at the bottom of this file + +//Input: grids.level Output: grids(x,y,z,weight)；spherical_coords(theta,phi,weight) + +//How to call: +//std::vector nums = {6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810}; // available grid levels +//int grid_level = nums[30]; // Set the grid level， count from 0th +//std::vector> grids = MakeAngularGrid(grid_level); +//auto spherical_coords = ConvertToSpherical(grids); + + + + + +#include +#include +#include +#include + +#include + +std::vector> SphGenOh(int code, double a, double b, double v) { + std::vector> g; + + if (code == 0) { + a = 1.0; + g = { + {a, 0., 0., v}, + {-a, 0., 0., v}, + {0., a, 0., v}, + {0., -a, 0., v}, + {0., 0., a, v}, + {0., 0., -a, v} + }; + } else if (code == 1) { + a = std::sqrt(0.5); + g = { + {0., a, a, v}, + {0., -a, a, v}, + {0., a, -a, v}, + {0., -a, -a, v}, + {a, 0., a, v}, + {-a, 0., a, v}, + {a, 0., -a, v}, + {-a, 0., -a, v}, + {a, a, 0., v}, + {-a, a, 0., v}, + {a, -a, 0., v}, + {-a, -a, 0., v} + }; + } else if (code == 2) { + a = std::sqrt(1. / 3.); + g = { + {a, a, a, v}, + {-a, a, a, v}, + {a, -a, a, v}, + {-a, -a, a, v}, + {a, a, -a, v}, + {-a, a, -a, v}, + {a, -a, -a, v}, + {-a, -a, -a, v} + }; + } else if (code == 3) { + b = std::sqrt(1. - 2. * a * a); + g = { + {a, a, b, v}, + {-a, a, b, v}, + {a, -a, b, v}, + {-a, -a, b, v}, + {a, a, -b, v}, + {-a, a, -b, v}, + {a, -a, -b, v}, + {-a, -a, -b, v}, + {a, b, a, v}, + {-a, b, a, v}, + {a, -b, a, v}, + {-a, -b, a, v}, + {a, b, -a, v}, + {-a, b, -a, v}, + {a, -b, -a, v}, + {-a, -b, -a, v}, + {b, a, a, v}, + {-b, a, a, v}, + {b, -a, a, v}, + {-b, -a, a, v}, + {b, a, -a, v}, + {-b, a, -a, v}, + {b, -a, -a, v}, + {-b, -a, -a, v} + }; + } else if (code == 4) { + b = std::sqrt(1. - a * a); + g = { + {a, b, 0., v}, + {-a, b, 0., v}, + {a, -b, 0., v}, + {-a, -b, 0., v}, + {b, a, 0., v}, + {-b, a, 0., v}, + {b, -a, 0., v}, + {-b, -a, 0., v}, + {a, 0., b, v}, + {-a, 0., b, v}, + {a, 0., -b, v}, + {-a, 0., -b, v}, + {b, 0., a, v}, + {-b, 0., a, v}, + {b, 0., -a, v}, + {-b, 0., -a, v}, + {0., a, b, v}, + {0., -a, b, v}, + {0., a, -b, v}, + {0., -a, -b, v}, + {0., b, a, v}, + {0., -b, a, v}, + {0., b, -a, v}, + {0., -b, -a, v} + }; + } else if (code == 5) { + double c = std::sqrt(1. - a * a - b * b); + g = { + {a, b, c, v}, + {-a, b, c, v}, + {a, -b, c, v}, + {-a, -b, c, v}, + {a, b, -c, v}, + {-a, b, -c, v}, + {a, -b, -c, v}, + {-a, -b, -c, v}, + {a, c, b, v}, + {-a, c, b, v}, + {a, -c, b, v}, + {-a, -c, b, v}, + {a, c, -b, v}, + {-a, c, -b, v}, + {a, -c, -b, v}, + {-a, -c, -b, v}, + {b, a, c, v}, + {-b, a, c, v}, + {b, -a, c, v}, + {-b, -a, c, v}, + {b, a, -c, v}, + {-b, a, -c, v}, + {b, -a, -c, v}, + {-b, -a, -c, v}, + {b, c, a, v}, + {-b, c, a, v}, + {b, -c, a, v}, + {-b, -c, a, v}, + {b, c, -a, v}, + {-b, c, -a, v}, + {b, -c, -a, v}, + {-b, -c, -a, v}, + {c, a, b, v}, + {-c, a, b, v}, + {c, -a, b, v}, + {-c, -a, b, v}, + {c, a, -b, v}, + {-c, a, -b, v}, + {c, -a, -b, v}, + {-c, -a, -b, v}, + {c, b, a, v}, + {-c, b, a, v}, + {c, -b, a, v}, + {-c, -b, a, v}, + {c, b, -a, v}, + {-c, b, -a, v}, + {c, -b, -a, v}, + {-c, -b, -a, v} + }; + } + + return g; // 返回 vector> 类型 +} + +std::vector> MakeAngularGrid_6() { + std::vector> grids; + double a = 0, b = 0, v = 0.1666666666666667e+0; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_14() { + std::vector> grids; + double a = 0, b = 0, v = 0.6666666666666667e-1; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.7500000000000000e-1; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_26() { + std::vector> grids; + double a = 0, b = 0, v = 0.4761904761904762e-1; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.3809523809523810e-1; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.3214285714285714e-1; + // g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_38() { + std::vector> grids; + double a = 0, b = 0, v = 0.9523809523809524e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.3214285714285714e-1; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + // v = 0.3214285714285714e-1; + // g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + // grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4597008433809831e+0; + v = 0.2857142857142857e-1; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + // v = 0.2380952380952381e-1; + // g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + // grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_50() { + std::vector> grids; + double a = 0, b = 0, v = 0.1269841269841270e-1; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.2257495590828924e-1; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2109375000000000e-1; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3015113445777636e+0; + v = 0.2017333553791887e-1; + g = SphGenOh(3, a, b, v); + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_74() { + std::vector> grids; + double a = 0, b = 0, v = 0.5130671797338464e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.1660406956574204e-1; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = -0.2958603896103896e-1; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4803844614152614e+0; + v = 0.2657620708215946e-1; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3207726489807764e+0; + v = 0.1652217099371571e-1; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_86() { + std::vector> grids; + double a = 0, b = 0, v = 0.1154401154401154e-1; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.1194390908585628e-1; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3696028464541502e+0; + v = 0.1111055571060340e-1; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6943540066026664e+0; + v = 0.1187650129453714e-1; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3742430390903412e+0; + v = 0.1181230374690448e-1; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_110() { + std::vector> grids; + double a = 0, b = 0, v = 0.3828270494937162e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.9793737512487512e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1851156353447362e+0; + v = 0.8211737283191111e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6904210483822922e+0; + v = 0.9942814891178103e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3956894730559419e+0; + v = 0.9595471336070963e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4783690288121502e+0; + v = 0.9694996361663028e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + +std::vector> MakeAngularGrid_146() { + std::vector> grids; + double a = 0, b = 0, v = 0.5996313688621381e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.7372999718620756e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.7210515360144488e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6764410400114264e+0; + v = 0.7116355493117555e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4174961227965453e+0; + v = 0.6753829486314477e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1574676672039082e+0; + v = 0.7574394159054034e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1403553811713183e+0; + b = 0.4493328323269557e+0; + v = 0.6991087353303262e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_170() { + std::vector> grids; + double a = 0, b = 0, v = 0.5544842902037365e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.6071332770670752e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.6383674773515093e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2551252621114134e+0; + v = 0.5183387587747790e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6743601460362766e+0; + v = 0.6317929009813725e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4318910696719410e+0; + v = 0.6201670006589077e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.2613931360335988e+0; + v = 0.5477143385137348e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4990453161796037e+0; + b = 0.1446630744325115e+0; + v = 0.5968383987681156e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_194() { + std::vector> grids; + double a = 0, b = 0, v = 0.1782340447244611e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.5716905949977102e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.5573383178848738e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6712973442695226e+0; + v = 0.5608704082587997e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2892465627575439e+0; + v = 0.5158237711805383e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4446933178717437e+0; + v = 0.5518771467273614e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1299335447650067e+0; + v = 0.4106777028169394e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.3457702197611283e+0; + v = 0.5051846064614808e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1590417105383530e+0; + b = 0.8360360154824589e+0; + v = 0.5530248916233094e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_230() { + std::vector> grids; + double a = 0, b = 0, v = -0.5522639919727325e-1; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.4450274607445226e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4492044687397611e+0; + v = 0.4496841067921404e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2520419490210201e+0; + v = 0.5049153450478750e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6981906658447242e+0; + v = 0.3976408018051883e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6587405243460960e+0; + v = 0.4401400650381014e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4038544050097660e-1; + v = 0.1724544350544401e-1; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.5823842309715585e+0; + v = 0.4231083095357343e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3545877390518688e+0; + v = 0.5198069864064399e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2272181808998187e+0; + b = 0.4864661535886647e+0; + v = 0.4695720972568883e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_266() { + std::vector> grids; + double a = 0, b = 0, v = -0.1313769127326952e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = -0.2522728704859336e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.4186853881700583e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.7039373391585475e+0; + v = 0.5315167977810885e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1012526248572414e+0; + v = 0.4047142377086219e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4647448726420539e+0; + v = 0.4112482394406990e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3277420654971629e+0; + v = 0.3595584899758782e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6620338663699974e+0; + v = 0.4256131351428158e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.8506508083520399e+0; + v = 0.4229582700647240e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3233484542692899e+0; + b = 0.1153112011009701e+0; + v = 0.4080914225780505e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2314790158712601e+0; + b = 0.5244939240922365e+0; + v = 0.4071467593830964e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_302() { + std::vector> grids; + double a = 0, b = 0, v = 0.8545911725128148e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.3599119285025571e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.3515640345570105e+0; + v = 0.3449788424305883e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6566329410219612e+0; + v = 0.3604822601419882e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4729054132581005e+0; + v = 0.3576729661743367e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9618308522614784e-1; + v = 0.2352101413689164e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2219645236294178e+0; + v = 0.3108953122413675e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7011766416089545e+0; + v = 0.3650045807677255e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2644152887060663e+0; + v = 0.2982344963171804e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5718955891878961e+0; + v = 0.3600820932216460e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2510034751770465e+0; + b = 0.8000727494073952e+0; + v = 0.3571540554273387e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1233548532583327e+0; + b = 0.4127724083168531e+0; + v = 0.3392312205006170e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_350() { + std::vector> grids; + double a = 0, b = 0, v = 0.3006796749453936e-2; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.3050627745650771e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.7068965463912316e+0; + v = 0.1621104600288991e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4794682625712025e+0; + v = 0.3005701484901752e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1927533154878019e+0; + v = 0.2990992529653774e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6930357961327123e+0; + v = 0.2982170644107595e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3608302115520091e+0; + v = 0.2721564237310992e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6498486161496169e+0; + v = 0.3033513795811141e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1932945013230339e+0; + v = 0.3007949555218533e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3800494919899303e+0; + v = 0.2881964603055307e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2899558825499574e+0; + b = 0.7934537856582316e+0; + v = 0.2958357626535696e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9684121455103957e-1; + b = 0.8280801506686862e+0; + v = 0.3036020026407088e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1833434647041659e+0; + b = 0.9074658265305127e+0; + v = 0.2832187403926303e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_434() { + std::vector> grids; + double a = 0, b = 0, v = 0.5265897968224436e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.2548219972002607e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2512317418927307e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6909346307509111e+0; + v = 0.2530403801186355e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1774836054609158e+0; + v = 0.2014279020918528e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4914342637784746e+0; + v = 0.2501725168402936e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6456664707424256e+0; + v = 0.2513267174597564e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.2861289010307638e+0; + v = 0.2302694782227416e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.7568084367178018e-1; + v = 0.1462495621594614e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.3927259763368002e+0; + v = 0.2445373437312980e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.8818132877794288e+0; + v = 0.2417442375638981e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.9776428111182649e+0; + v = 0.1910951282179532e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2054823696403044e+0; + b = 0.8689460322872412e+0; + v = 0.2416930044324775e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5905157048925271e+0; + b = 0.7999278543857286e+0; + v = 0.2512236854563495e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5550152361076807e+0; + b = 0.7717462626915901e+0; + v = 0.2496644054553086e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.9371809858553722e+0; + b = 0.3344363145343455e+0; + v = 0.2236607760437849e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_590() { + std::vector> grids; + double a = 0, b = 0, v = 0.3095121295306187e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.1852379698597489e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.7040954938227469e+0; + v = 0.1871790639277744e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6807744066455243e+0; + v = 0.1858812585438317e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6372546939258752e+0; + v = 0.1852028828296213e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5044419707800358e+0; + v = 0.1846715956151242e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.4215761784010967e+0; + v = 0.1818471778162769e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3317920736472123e+0; + v = 0.1749564657281154e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2384736701421887e+0; + v = 0.1617210647254411e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1459036449157763e+0; + v = 0.1384737234851692e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6095034115507196e-1; + v = 0.9764331165051050e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6116843442009876e+0; + v = 0.1857161196774078e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3964755348199858e+0; + v = 0.1705153996395864e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1724782009907724e+0; + v = 0.1300321685886048e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5610263808622060e+0; + b = 0.3518280927733519e+0; + v = 0.1842866472905286e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4742392842551980e+0; + b = 0.2634716655937950e+0; + v = 0.1802658934377451e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5984126497885380e+0; + b = 0.1816640840360209e+0; + v = 0.1849830560443660e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3791035407695563e+0; + b = 0.1720795225656878e+0; + v = 0.1713904507106709e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2778673190586244e+0; + b = 0.8213021581932511e-1; + v = 0.1555213603396808e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5033564271075117e+0; + b = 0.8999205842074875e-1; + v = 0.1802239128008525e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + +std::vector> MakeAngularGrid_770() { + std::vector> grids; + double a = 0, b = 0, v = 0.2192942088181184e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.1436433617319080e-2; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.1421940344335877e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5087204410502360e-1; + v = 0.6798123511050502e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1228198790178831e+0; + v = 0.9913184235294912e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2026890814408786e+0; + v = 0.1180207833238949e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2847745156464294e+0; + v = 0.1296599602080921e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3656719078978026e+0; + v = 0.1365871427428316e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4428264886713469e+0; + v = 0.1402988604775325e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5140619627249735e+0; + v = 0.1418645563595609e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6306401219166803e+0; + v = 0.1421376741851662e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6716883332022612e+0; + v = 0.1423996475490962e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6979792685336881e+0; + v = 0.1431554042178567e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1446865674195309e+0; + v = 0.9254401499865368e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3390263475411216e+0; + v = 0.1250239995053509e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5335804651263506e+0; + v = 0.1394365843329230e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6944024393349413e-1; + b = 0.2355187894242326e+0; + v = 0.1127089094671749e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2269004109529460e+0; + b = 0.4102182474045730e+0; + v = 0.1345753760910670e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8025574607775339e-1; + b = 0.6214302417481605e+0; + v = 0.1424957283316783e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1467999527896572e+0; + b = 0.3245284345717394e+0; + v = 0.1261523341237750e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1571507769824727e+0; + b = 0.5224482189696630e+0; + v = 0.1392547106052696e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2365702993157246e+0; + b = 0.6017546634089558e+0; + v = 0.1418761677877656e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7714815866765732e-1; + b = 0.4346575516141163e+0; + v = 0.1338366684479554e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3062936666210730e+0; + b = 0.4908826589037616e+0; + v = 0.1393700862676131e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3822477379524787e+0; + b = 0.5648768149099500e+0; + v = 0.1415914757466932e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_974() { + std::vector> grids; + double a = 0, b = 0, v = 0.1438294190527431e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.1125772288287004e-2; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4292963545341347e-1; + v = 0.4948029341949241e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1051426854086404e+0; + v = 0.7357990109125470e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1750024867623087e+0; + v = 0.8889132771304384e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2477653379650257e+0; + v = 0.9888347838921435e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3206567123955957e+0; + v = 0.1053299681709471e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3916520749849983e+0; + v = 0.1092778807014578e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4590825874187624e+0; + v = 0.1114389394063227e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5214563888415861e+0; + v = 0.1123724788051555e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6253170244654199e+0; + v = 0.1125239325243814e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6637926744523170e+0; + v = 0.1126153271815905e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6910410398498301e+0; + v = 0.1130286931123841e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7052907007457760e+0; + v = 0.1134986534363955e-2; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1236686762657990e+0; + v = 0.6823367927109931e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2940777114468387e+0; + v = 0.9454158160447096e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4697753849207649e+0; + v = 0.1074429975385679e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6334563241139567e+0; + v = 0.1129300086569132e-2; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5974048614181342e-1; + b = 0.2029128752777523e+0; + v = 0.8436884500901954e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1375760408473636e+0; + b = 0.4602621942484054e+0; + v = 0.1075255720448885e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3391016526336286e+0; + b = 0.5030673999662036e+0; + v = 0.1108577236864462e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1271675191439820e+0; + b = 0.2817606422442134e+0; + v = 0.9566475323783357e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2693120740413512e+0; + b = 0.4331561291720157e+0; + v = 0.1080663250717391e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1419786452601918e+0; + b = 0.6256167358580814e+0; + v = 0.1126797131196295e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6709284600738255e-1; + b = 0.3798395216859157e+0; + v = 0.1022568715358061e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7057738183256172e-1; + b = 0.5517505421423520e+0; + v = 0.1108960267713108e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2783888477882155e+0; + b = 0.6029619156159187e+0; + v = 0.1122790653435766e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1979578938917407e+0; + b = 0.3589606329589096e+0; + v = 0.1032401847117460e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2087307061103274e+0; + b = 0.5348666438135476e+0; + v = 0.1107249382283854e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4055122137872836e+0; + b = 0.5674997546074373e+0; + v = 0.1121780048519972e-2; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_1202() { + std::vector> grids; + double a = 0, b = 0, v = 0.1105189233267572e-3; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.9205232738090741e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.9133159786443561e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3712636449657089e-1; + v = 0.3690421898017899e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9140060412262223e-1; + v = 0.5603990928680660e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1531077852469906e+0; + v = 0.6865297629282609e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2180928891660612e+0; + v = 0.7720338551145630e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2839874532200175e+0; + v = 0.8301545958894795e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3491177600963764e+0; + v = 0.8686692550179628e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4121431461444309e+0; + v = 0.8927076285846890e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4718993627149127e+0; + v = 0.9060820238568219e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5273145452842337e+0; + v = 0.9119777254940867e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6209475332444019e+0; + v = 0.9128720138604181e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6569722711857291e+0; + v = 0.9130714935691735e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6841788309070143e+0; + v = 0.9152873784554116e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7012604330123631e+0; + v = 0.9187436274321654e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1072382215478166e+0; + v = 0.5176977312965694e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2582068959496968e+0; + v = 0.7331143682101417e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4172752955306717e+0; + v = 0.8463232836379928e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5700366911792503e+0; + v = 0.9031122694253992e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9827986018263947e+0; + b = 0.1771774022615325e+0; + v = 0.6485778453163257e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9624249230326228e+0; + b = 0.2475716463426288e+0; + v = 0.7435030910982369e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9402007994128811e+0; + b = 0.3354616289066489e+0; + v = 0.7998527891839054e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9320822040143202e+0; + b = 0.3173615246611977e+0; + v = 0.8101731497468018e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9043674199393299e+0; + b = 0.4090268427085357e+0; + v = 0.8483389574594331e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8912407560074747e+0; + b = 0.3854291150669224e+0; + v = 0.8556299257311812e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8676435628462708e+0; + b = 0.4932221184851285e+0; + v = 0.8803208679738260e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8581979986041619e+0; + b = 0.4785320675922435e+0; + v = 0.8811048182425720e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8396753624049856e+0; + b = 0.4507422593157064e+0; + v = 0.8850282341265444e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8165288564022188e+0; + b = 0.5632123020762100e+0; + v = 0.9021342299040653e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8015469370783529e+0; + b = 0.5434303569693900e+0; + v = 0.9010091677105086e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7773563069070351e+0; + b = 0.5123518486419871e+0; + v = 0.9022692938426915e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7661621213900394e+0; + b = 0.6394279634749102e+0; + v = 0.9158016174693465e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7553584143533510e+0; + b = 0.6269805509024392e+0; + v = 0.9131578003189435e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7344305757559503e+0; + b = 0.6031161693096310e+0; + v = 0.9107813579482705e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.7043837184021765e+0; + b = 0.5693702498468441e+0; + v = 0.9105760258970126e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_1454() { + std::vector> grids; + double a = 0, b = 0, v = 0.7777160743261247e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.7557646413004701e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.3229290663413854e-1; + v = 0.2841633806090617e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8036733271462222e-1; + v = 0.4374419127053555e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1354289960531653e+0; + v = 0.5417174740872172e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1938963861114426e+0; + v = 0.6148000891358593e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2537343715011275e+0; + v = 0.6664394485800705e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3135251434752570e+0; + v = 0.7025039356923220e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3721558339375338e+0; + v = 0.7268511789249627e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4286809575195696e+0; + v = 0.7422637534208629e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4822510128282994e+0; + v = 0.7509545035841214e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5320679333566263e+0; + v = 0.7548535057718401e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6172998195394274e+0; + v = 0.7554088969774001e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6510679849127481e+0; + v = 0.7553147174442808e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6777315251687360e+0; + v = 0.7564767653292297e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6963109410648741e+0; + v = 0.7587991808518730e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7058935009831749e+0; + v = 0.7608261832033027e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.9955546194091857e+0; + v = 0.4021680447874916e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9734115901794209e+0; + v = 0.5804871793945964e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9275693732388626e+0; + v = 0.6792151955945159e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8568022422795103e+0; + v = 0.7336741211286294e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7623495553719372e+0; + v = 0.7581866300989608e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.5707522908892223e+0; + b = 0.4387028039889501e+0; + v = 0.7538257859800743e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5196463388403083e+0; + b = 0.3858908414762617e+0; + v = 0.7483517247053123e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4646337531215351e+0; + b = 0.3301937372343854e+0; + v = 0.7371763661112059e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4063901697557691e+0; + b = 0.2725423573563777e+0; + v = 0.7183448895756934e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3456329466643087e+0; + b = 0.2139510237495250e+0; + v = 0.6895815529822191e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2831395121050332e+0; + b = 0.1555922309786647e+0; + v = 0.6480105801792886e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2197682022925330e+0; + b = 0.9892878979686097e-1; + v = 0.5897558896594636e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1564696098650355e+0; + b = 0.4598642910675510e-1; + v = 0.5095708849247346e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6027356673721295e+0; + b = 0.3376625140173426e+0; + v = 0.7536906428909755e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5496032320255096e+0; + b = 0.2822301309727988e+0; + v = 0.7472505965575118e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4921707755234567e+0; + b = 0.2248632342592540e+0; + v = 0.7343017132279698e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4309422998598483e+0; + b = 0.1666224723456479e+0; + v = 0.7130871582177445e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3664108182313672e+0; + b = 0.1086964901822169e+0; + v = 0.6817022032112776e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2990189057758436e+0; + b = 0.5251989784120085e-1; + v = 0.6380941145604121e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6268724013144998e+0; + b = 0.2297523657550023e+0; + v = 0.7550381377920310e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5707324144834607e+0; + b = 0.1723080607093800e+0; + v = 0.7478646640144802e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5096360901960365e+0; + b = 0.1140238465390513e+0; + v = 0.7335918720601220e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4438729938312456e+0; + b = 0.5611522095882537e-1; + v = 0.7110120527658118e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6419978471082389e+0; + b = 0.1164174423140873e+0; + v = 0.7571363978689501e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5817218061802611e+0; + b = 0.5797589531445219e-1; + v = 0.7489908329079234e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + +std::vector> MakeAngularGrid_1730() { + std::vector> grids; + double a = 0, b = 0, v = 0.6309049437420976e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.6398287705571748e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.6357185073530720e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2860923126194662e-1; + v = 0.2221207162188168e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7142556767711522e-1; + v = 0.3475784022286848e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1209199540995559e+0; + v = 0.4350742443589804e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1738673106594379e+0; + v = 0.4978569136522127e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2284645438467734e+0; + v = 0.5435036221998053e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2834807671701512e+0; + v = 0.5765913388219542e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3379680145467339e+0; + v = 0.6001200359226003e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3911355454819537e+0; + v = 0.6162178172717512e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4422860353001403e+0; + v = 0.6265218152438485e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4907781568726057e+0; + v = 0.6323987160974212e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5360006153211468e+0; + v = 0.6350767851540569e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6142105973596603e+0; + v = 0.6354362775297107e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6459300387977504e+0; + v = 0.6352302462706235e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6718056125089225e+0; + v = 0.6358117881417972e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6910888533186254e+0; + v = 0.6373101590310117e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7030467416823252e+0; + v = 0.6390428961368665e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.8354951166354646e-1; + v = 0.3186913449946576e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2050143009099486e+0; + v = 0.4678028558591711e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3370208290706637e+0; + v = 0.5538829697598626e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4689051484233963e+0; + v = 0.6044475907190476e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5939400424557334e+0; + v = 0.6313575103509012e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1394983311832261e+0; + b = 0.4097581162050343e-1; + v = 0.4078626431855630e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1967999180485014e+0; + b = 0.8851987391293348e-1; + v = 0.4759933057812725e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2546183732548967e+0; + b = 0.1397680182969819e+0; + v = 0.5268151186413440e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3121281074713875e+0; + b = 0.1929452542226526e+0; + v = 0.5643048560507316e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3685981078502492e+0; + b = 0.2467898337061562e+0; + v = 0.5914501076613073e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4233760321547856e+0; + b = 0.3003104124785409e+0; + v = 0.6104561257874195e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4758671236059246e+0; + b = 0.3526684328175033e+0; + v = 0.6230252860707806e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5255178579796463e+0; + b = 0.4031134861145713e+0; + v = 0.6305618761760796e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5718025633734589e+0; + b = 0.4509426448342351e+0; + v = 0.6343092767597889e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2686927772723415e+0; + b = 0.4711322502423248e-1; + v = 0.5176268945737826e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3306006819904809e+0; + b = 0.9784487303942695e-1; + v = 0.5564840313313692e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3904906850594983e+0; + b = 0.1505395810025273e+0; + v = 0.5856426671038980e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4479957951904390e+0; + b = 0.2039728156296050e+0; + v = 0.6066386925777091e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5027076848919780e+0; + b = 0.2571529941121107e+0; + v = 0.6208824962234458e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5542087392260217e+0; + b = 0.3092191375815670e+0; + v = 0.6296314297822907e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6020850887375187e+0; + b = 0.3593807506130276e+0; + v = 0.6340423756791859e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4019851409179594e+0; + b = 0.5063389934378671e-1; + v = 0.5829627677107342e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4635614567449800e+0; + b = 0.1032422269160612e+0; + v = 0.6048693376081110e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5215860931591575e+0; + b = 0.1566322094006254e+0; + v = 0.6202362317732461e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5758202499099271e+0; + b = 0.2098082827491099e+0; + v = 0.6299005328403779e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6259893683876795e+0; + b = 0.2618824114553391e+0; + v = 0.6347722390609353e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5313795124811891e+0; + b = 0.5263245019338556e-1; + v = 0.6203778981238834e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5893317955931995e+0; + b = 0.1061059730982005e+0; + v = 0.6308414671239979e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6426246321215801e+0; + b = 0.1594171564034221e+0; + v = 0.6362706466959498e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6511904367376113e+0; + b = 0.5354789536565540e-1; + v = 0.6375414170333233e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_2030() { + std::vector> grids; + double a = 0, b = 0, v = 0.4656031899197431e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.5421549195295507e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2540835336814348e-1; + v = 0.1778522133346553e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6399322800504915e-1; + v = 0.2811325405682796e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1088269469804125e+0; + v = 0.3548896312631459e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1570670798818287e+0; + v = 0.4090310897173364e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2071163932282514e+0; + v = 0.4493286134169965e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2578914044450844e+0; + v = 0.4793728447962723e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3085687558169623e+0; + v = 0.5015415319164265e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3584719706267024e+0; + v = 0.5175127372677937e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4070135594428709e+0; + v = 0.5285522262081019e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4536618626222638e+0; + v = 0.5356832703713962e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4979195686463577e+0; + v = 0.5397914736175170e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5393075111126999e+0; + v = 0.5416899441599930e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6115617676843916e+0; + v = 0.5419308476889938e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6414308435160159e+0; + v = 0.5416936902030596e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6664099412721607e+0; + v = 0.5419544338703164e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6859161771214913e+0; + v = 0.5428983656630975e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6993625593503890e+0; + v = 0.5442286500098193e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7062393387719380e+0; + v = 0.5452250345057301e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.7479028168349763e-1; + v = 0.2568002497728530e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1848951153969366e+0; + v = 0.3827211700292145e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3059529066581305e+0; + v = 0.4579491561917824e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4285556101021362e+0; + v = 0.5042003969083574e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5468758653496526e+0; + v = 0.5312708889976025e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6565821978343439e+0; + v = 0.5438401790747117e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1253901572367117e+0; + b = 0.3681917226439641e-1; + v = 0.3316041873197344e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1775721510383941e+0; + b = 0.7982487607213301e-1; + v = 0.3899113567153771e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2305693358216114e+0; + b = 0.1264640966592335e+0; + v = 0.4343343327201309e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2836502845992063e+0; + b = 0.1751585683418957e+0; + v = 0.4679415262318919e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3361794746232590e+0; + b = 0.2247995907632670e+0; + v = 0.4930847981631031e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3875979172264824e+0; + b = 0.2745299257422246e+0; + v = 0.5115031867540091e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4374019316999074e+0; + b = 0.3236373482441118e+0; + v = 0.5245217148457367e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4851275843340022e+0; + b = 0.3714967859436741e+0; + v = 0.5332041499895321e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5303391803806868e+0; + b = 0.4175353646321745e+0; + v = 0.5384583126021542e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5726197380596287e+0; + b = 0.4612084406355461e+0; + v = 0.5411067210798852e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2431520732564863e+0; + b = 0.4258040133043952e-1; + v = 0.4259797391468714e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3002096800895869e+0; + b = 0.8869424306722721e-1; + v = 0.4604931368460021e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3558554457457432e+0; + b = 0.1368811706510655e+0; + v = 0.4871814878255202e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4097782537048887e+0; + b = 0.1860739985015033e+0; + v = 0.5072242910074885e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4616337666067458e+0; + b = 0.2354235077395853e+0; + v = 0.5217069845235350e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5110707008417874e+0; + b = 0.2842074921347011e+0; + v = 0.5315785966280310e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5577415286163795e+0; + b = 0.3317784414984102e+0; + v = 0.5376833708758905e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6013060431366950e+0; + b = 0.3775299002040700e+0; + v = 0.5408032092069521e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3661596767261781e+0; + b = 0.4599367887164592e-1; + v = 0.4842744917904866e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4237633153506581e+0; + b = 0.9404893773654421e-1; + v = 0.5048926076188130e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4786328454658452e+0; + b = 0.1431377109091971e+0; + v = 0.5202607980478373e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5305702076789774e+0; + b = 0.1924186388843570e+0; + v = 0.5309932388325743e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5793436224231788e+0; + b = 0.2411590944775190e+0; + v = 0.5377419770895208e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6247069017094747e+0; + b = 0.2886871491583605e+0; + v = 0.5411696331677717e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4874315552535204e+0; + b = 0.4804978774953206e-1; + v = 0.5197996293282420e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5427337322059053e+0; + b = 0.9716857199366665e-1; + v = 0.5311120836622945e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5943493747246700e+0; + b = 0.1465205839795055e+0; + v = 0.5384309319956951e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6421314033564943e+0; + b = 0.1953579449803574e+0; + v = 0.5421859504051886e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6020628374713980e+0; + b = 0.4916375015738108e-1; + v = 0.5390948355046314e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6529222529856881e+0; + b = 0.9861621540127005e-1; + v = 0.5433312705027845e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_2354() { + std::vector> grids; + double a = 0, b = 0, v = 0.3922616270665292e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.4703831750854424e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.4678202801282136e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2290024646530589e-1; + v = 0.1437832228979900e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5779086652271284e-1; + v = 0.2303572493577644e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9863103576375984e-1; + v = 0.2933110752447454e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1428155792982185e+0; + v = 0.3402905998359838e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1888978116601463e+0; + v = 0.3759138466870372e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2359091682970210e+0; + v = 0.4030638447899798e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2831228833706171e+0; + v = 0.4236591432242211e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3299495857966693e+0; + v = 0.4390522656946746e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3758840802660796e+0; + v = 0.4502523466626247e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4204751831009480e+0; + v = 0.4580577727783541e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4633068518751051e+0; + v = 0.4631391616615899e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5039849474507313e+0; + v = 0.4660928953698676e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5421265793440747e+0; + v = 0.4674751807936953e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6092660230557310e+0; + v = 0.4676414903932920e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6374654204984869e+0; + v = 0.4674086492347870e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6615136472609892e+0; + v = 0.4674928539483207e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6809487285958127e+0; + v = 0.4680748979686447e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6952980021665196e+0; + v = 0.4690449806389040e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7041245497695400e+0; + v = 0.4699877075860818e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6744033088306065e-1; + v = 0.2099942281069176e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1678684485334166e+0; + v = 0.3172269150712804e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2793559049539613e+0; + v = 0.3832051358546523e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3935264218057639e+0; + v = 0.4252193818146985e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5052629268232558e+0; + v = 0.4513807963755000e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6107905315437531e+0; + v = 0.4657797469114178e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1135081039843524e+0; + b = 0.3331954884662588e-1; + v = 0.2733362800522836e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1612866626099378e+0; + b = 0.7247167465436538e-1; + v = 0.3235485368463559e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2100786550168205e+0; + b = 0.1151539110849745e+0; + v = 0.3624908726013453e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2592282009459942e+0; + b = 0.1599491097143677e+0; + v = 0.3925540070712828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3081740561320203e+0; + b = 0.2058699956028027e+0; + v = 0.4156129781116235e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3564289781578164e+0; + b = 0.2521624953502911e+0; + v = 0.4330644984623263e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4035587288240703e+0; + b = 0.2982090785797674e+0; + v = 0.4459677725921312e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4491671196373903e+0; + b = 0.3434762087235733e+0; + v = 0.4551593004456795e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4928854782917489e+0; + b = 0.3874831357203437e+0; + v = 0.4613341462749918e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5343646791958988e+0; + b = 0.4297814821746926e+0; + v = 0.4651019618269806e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5732683216530990e+0; + b = 0.4699402260943537e+0; + v = 0.4670249536100625e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2214131583218986e+0; + b = 0.3873602040643895e-1; + v = 0.3549555576441708e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2741796504750071e+0; + b = 0.8089496256902013e-1; + v = 0.3856108245249010e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3259797439149485e+0; + b = 0.1251732177620872e+0; + v = 0.4098622845756882e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3765441148826891e+0; + b = 0.1706260286403185e+0; + v = 0.4286328604268950e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4255773574530558e+0; + b = 0.2165115147300408e+0; + v = 0.4427802198993945e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4727795117058430e+0; + b = 0.2622089812225259e+0; + v = 0.4530473511488561e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5178546895819012e+0; + b = 0.3071721431296201e+0; + v = 0.4600805475703138e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5605141192097460e+0; + b = 0.3508998998801138e+0; + v = 0.4644599059958017e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6004763319352512e+0; + b = 0.3929160876166931e+0; + v = 0.4667274455712508e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3352842634946949e+0; + b = 0.4202563457288019e-1; + v = 0.4069360518020356e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3891971629814670e+0; + b = 0.8614309758870850e-1; + v = 0.4260442819919195e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4409875565542281e+0; + b = 0.1314500879380001e+0; + v = 0.4408678508029063e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4904893058592484e+0; + b = 0.1772189657383859e+0; + v = 0.4518748115548597e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5375056138769549e+0; + b = 0.2228277110050294e+0; + v = 0.4595564875375116e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5818255708669969e+0; + b = 0.2677179935014386e+0; + v = 0.4643988774315846e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6232334858144959e+0; + b = 0.3113675035544165e+0; + v = 0.4668827491646946e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4489485354492058e+0; + b = 0.4409162378368174e-1; + v = 0.4400541823741973e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5015136875933150e+0; + b = 0.8939009917748489e-1; + v = 0.4514512890193797e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5511300550512623e+0; + b = 0.1351806029383365e+0; + v = 0.4596198627347549e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5976720409858000e+0; + b = 0.1808370355053196e+0; + v = 0.4648659016801781e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6409956378989354e+0; + b = 0.2257852192301602e+0; + v = 0.4675502017157673e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5581222330827514e+0; + b = 0.4532173421637160e-1; + v = 0.4598494476455523e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6074705984161695e+0; + b = 0.9117488031840314e-1; + v = 0.4654916955152048e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6532272537379033e+0; + b = 0.1369294213140155e+0; + v = 0.4684709779505137e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6594761494500487e+0; + b = 0.4589901487275583e-1; + v = 0.4691445539106986e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_2702() { + std::vector> grids; + double a = 0, b = 0, v = 0.2998675149888161e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.4077860529495355e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2065562538818703e-1; + v = 0.1185349192520667e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5250918173022379e-1; + v = 0.1913408643425751e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8993480082038376e-1; + v = 0.2452886577209897e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1306023924436019e+0; + v = 0.2862408183288702e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1732060388531418e+0; + v = 0.3178032258257357e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2168727084820249e+0; + v = 0.3422945667633690e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2609528309173586e+0; + v = 0.3612790520235922e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3049252927938952e+0; + v = 0.3758638229818521e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3483484138084404e+0; + v = 0.3868711798859953e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3908321549106406e+0; + v = 0.3949429933189938e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4320210071894814e+0; + v = 0.4006068107541156e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4715824795890053e+0; + v = 0.4043192149672723e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5091984794078453e+0; + v = 0.4064947495808078e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5445580145650803e+0; + v = 0.4075245619813152e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6072575796841768e+0; + v = 0.4076423540893566e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6339484505755803e+0; + v = 0.4074280862251555e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6570718257486958e+0; + v = 0.4074163756012244e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6762557330090709e+0; + v = 0.4077647795071246e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6911161696923790e+0; + v = 0.4084517552782530e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7012841911659961e+0; + v = 0.4092468459224052e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7064559272410020e+0; + v = 0.4097872687240906e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6123554989894765e-1; + v = 0.1738986811745028e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1533070348312393e+0; + v = 0.2659616045280191e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2563902605244206e+0; + v = 0.3240596008171533e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3629346991663361e+0; + v = 0.3621195964432943e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4683949968987538e+0; + v = 0.3868838330760539e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5694479240657952e+0; + v = 0.4018911532693111e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6634465430993955e+0; + v = 0.4089929432983252e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1033958573552305e+0; + b = 0.3034544009063584e-1; + v = 0.2279907527706409e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1473521412414395e+0; + b = 0.6618803044247135e-1; + v = 0.2715205490578897e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1924552158705967e+0; + b = 0.1054431128987715e+0; + v = 0.3057917896703976e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2381094362890328e+0; + b = 0.1468263551238858e+0; + v = 0.3326913052452555e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2838121707936760e+0; + b = 0.1894486108187886e+0; + v = 0.3537334711890037e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3291323133373415e+0; + b = 0.2326374238761579e+0; + v = 0.3700567500783129e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3736896978741460e+0; + b = 0.2758485808485768e+0; + v = 0.3825245372589122e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4171406040760013e+0; + b = 0.3186179331996921e+0; + v = 0.3918125171518296e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4591677985256915e+0; + b = 0.3605329796303794e+0; + v = 0.3984720419937579e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4994733831718418e+0; + b = 0.4012147253586509e+0; + v = 0.4029746003338211e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5377731830445096e+0; + b = 0.4403050025570692e+0; + v = 0.4057428632156627e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5737917830001331e+0; + b = 0.4774565904277483e+0; + v = 0.4071719274114857e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2027323586271389e+0; + b = 0.3544122504976147e-1; + v = 0.2990236950664119e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2516942375187273e+0; + b = 0.7418304388646328e-1; + v = 0.3262951734212878e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3000227995257181e+0; + b = 0.1150502745727186e+0; + v = 0.3482634608242413e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3474806691046342e+0; + b = 0.1571963371209364e+0; + v = 0.3656596681700892e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3938103180359209e+0; + b = 0.1999631877247100e+0; + v = 0.3791740467794218e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4387519590455703e+0; + b = 0.2428073457846535e+0; + v = 0.3894034450156905e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4820503960077787e+0; + b = 0.2852575132906155e+0; + v = 0.3968600245508371e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5234573778475101e+0; + b = 0.3268884208674639e+0; + v = 0.4019931351420050e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5627318647235282e+0; + b = 0.3673033321675939e+0; + v = 0.4052108801278599e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5996390607156954e+0; + b = 0.4061211551830290e+0; + v = 0.4068978613940934e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3084780753791947e+0; + b = 0.3860125523100059e-1; + v = 0.3454275351319704e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3589988275920223e+0; + b = 0.7928938987104867e-1; + v = 0.3629963537007920e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4078628415881973e+0; + b = 0.1212614643030087e+0; + v = 0.3770187233889873e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4549287258889735e+0; + b = 0.1638770827382693e+0; + v = 0.3878608613694378e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5000278512957279e+0; + b = 0.2065965798260176e+0; + v = 0.3959065270221274e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5429785044928199e+0; + b = 0.2489436378852235e+0; + v = 0.4015286975463570e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5835939850491711e+0; + b = 0.2904811368946891e+0; + v = 0.4050866785614717e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6216870353444856e+0; + b = 0.3307941957666609e+0; + v = 0.4069320185051913e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4151104662709091e+0; + b = 0.4064829146052554e-1; + v = 0.3760120964062763e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4649804275009218e+0; + b = 0.8258424547294755e-1; + v = 0.3870969564418064e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5124695757009662e+0; + b = 0.1251841962027289e+0; + v = 0.3955287790534055e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5574711100606224e+0; + b = 0.1679107505976331e+0; + v = 0.4015361911302668e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5998597333287227e+0; + b = 0.2102805057358715e+0; + v = 0.4053836986719548e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6395007148516600e+0; + b = 0.2518418087774107e+0; + v = 0.4073578673299117e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5188456224746252e+0; + b = 0.4194321676077518e-1; + v = 0.3954628379231406e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5664190707942778e+0; + b = 0.8457661551921499e-1; + v = 0.4017645508847530e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6110464353283153e+0; + b = 0.1273652932519396e+0; + v = 0.4059030348651293e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6526430302051563e+0; + b = 0.1698173239076354e+0; + v = 0.4080565809484880e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6167551880377548e+0; + b = 0.4266398851548864e-1; + v = 0.4063018753664651e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6607195418355383e+0; + b = 0.8551925814238349e-1; + v = 0.4087191292799671e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_3074() { + std::vector> grids; + double a = 0, b = 0, v = 0.2599095953754734e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.3603134089687541e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.3586067974412447e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1886108518723392e-1; + v = 0.9831528474385880e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4800217244625303e-1; + v = 0.1605023107954450e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8244922058397242e-1; + v = 0.2072200131464099e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1200408362484023e+0; + v = 0.2431297618814187e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1595773530809965e+0; + v = 0.2711819064496707e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2002635973434064e+0; + v = 0.2932762038321116e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2415127590139982e+0; + v = 0.3107032514197368e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2828584158458477e+0; + v = 0.3243808058921213e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3239091015338138e+0; + v = 0.3349899091374030e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3643225097962194e+0; + v = 0.3430580688505218e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4037897083691802e+0; + v = 0.3490124109290343e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4420247515194127e+0; + v = 0.3532148948561955e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4787572538464938e+0; + v = 0.3559862669062833e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5137265251275234e+0; + v = 0.3576224317551411e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5466764056654611e+0; + v = 0.3584050533086076e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6054859420813535e+0; + v = 0.3584903581373224e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6308106701764562e+0; + v = 0.3582991879040586e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6530369230179584e+0; + v = 0.3582371187963125e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6718609524611158e+0; + v = 0.3584353631122350e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6869676499894013e+0; + v = 0.3589120166517785e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6980467077240748e+0; + v = 0.3595445704531601e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7048241721250522e+0; + v = 0.3600943557111074e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.5591105222058232e-1; + v = 0.1456447096742039e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1407384078513916e+0; + v = 0.2252370188283782e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2364035438976309e+0; + v = 0.2766135443474897e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3360602737818170e+0; + v = 0.3110729491500851e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4356292630054665e+0; + v = 0.3342506712303391e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5321569415256174e+0; + v = 0.3491981834026860e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6232956305040554e+0; + v = 0.3576003604348932e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.9469870086838469e-1; + b = 0.2778748387309470e-1; + v = 0.1921921305788564e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1353170300568141e+0; + b = 0.6076569878628364e-1; + v = 0.2301458216495632e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1771679481726077e+0; + b = 0.9703072762711040e-1; + v = 0.2604248549522893e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2197066664231751e+0; + b = 0.1354112458524762e+0; + v = 0.2845275425870697e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2624783557374927e+0; + b = 0.1750996479744100e+0; + v = 0.3036870897974840e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3050969521214442e+0; + b = 0.2154896907449802e+0; + v = 0.3188414832298066e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3472252637196021e+0; + b = 0.2560954625740152e+0; + v = 0.3307046414722089e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3885610219026360e+0; + b = 0.2965070050624096e+0; + v = 0.3398330969031360e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4288273776062765e+0; + b = 0.3363641488734497e+0; + v = 0.3466757899705373e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4677662471302948e+0; + b = 0.3753400029836788e+0; + v = 0.3516095923230054e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5051333589553359e+0; + b = 0.4131297522144286e+0; + v = 0.3549645184048486e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5406942145810492e+0; + b = 0.4494423776081795e+0; + v = 0.3570415969441392e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5742204122576457e+0; + b = 0.4839938958841502e+0; + v = 0.3581251798496118e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1865407027225188e+0; + b = 0.3259144851070796e-1; + v = 0.2543491329913348e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2321186453689432e+0; + b = 0.6835679505297343e-1; + v = 0.2786711051330776e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2773159142523882e+0; + b = 0.1062284864451989e+0; + v = 0.2985552361083679e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3219200192237254e+0; + b = 0.1454404409323047e+0; + v = 0.3145867929154039e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3657032593944029e+0; + b = 0.1854018282582510e+0; + v = 0.3273290662067609e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4084376778363622e+0; + b = 0.2256297412014750e+0; + v = 0.3372705511943501e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4499004945751427e+0; + b = 0.2657104425000896e+0; + v = 0.3448274437851510e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4898758141326335e+0; + b = 0.3052755487631557e+0; + v = 0.3503592783048583e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5281547442266309e+0; + b = 0.3439863920645423e+0; + v = 0.3541854792663162e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5645346989813992e+0; + b = 0.3815229456121914e+0; + v = 0.3565995517909428e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5988181252159848e+0; + b = 0.4175752420966734e+0; + v = 0.3578802078302898e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2850425424471603e+0; + b = 0.3562149509862536e-1; + v = 0.2958644592860982e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3324619433027876e+0; + b = 0.7330318886871096e-1; + v = 0.3119548129116835e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3785848333076282e+0; + b = 0.1123226296008472e+0; + v = 0.3250745225005984e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4232891028562115e+0; + b = 0.1521084193337708e+0; + v = 0.3355153415935208e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4664287050829722e+0; + b = 0.1921844459223610e+0; + v = 0.3435847568549328e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5078458493735726e+0; + b = 0.2321360989678303e+0; + v = 0.3495786831622488e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5473779816204180e+0; + b = 0.2715886486360520e+0; + v = 0.3537767805534621e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5848617133811376e+0; + b = 0.3101924707571355e+0; + v = 0.3564459815421428e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6201348281584888e+0; + b = 0.3476121052890973e+0; + v = 0.3578464061225468e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3852191185387871e+0; + b = 0.3763224880035108e-1; + v = 0.3239748762836212e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4325025061073423e+0; + b = 0.7659581935637135e-1; + v = 0.3345491784174287e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4778486229734490e+0; + b = 0.1163381306083900e+0; + v = 0.3429126177301782e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5211663693009000e+0; + b = 0.1563890598752899e+0; + v = 0.3492420343097421e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5623469504853703e+0; + b = 0.1963320810149200e+0; + v = 0.3537399050235257e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6012718188659246e+0; + b = 0.2357847407258738e+0; + v = 0.3566209152659172e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6378179206390117e+0; + b = 0.2743846121244060e+0; + v = 0.3581084321919782e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4836936460214534e+0; + b = 0.3895902610739024e-1; + v = 0.3426522117591512e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5293792562683797e+0; + b = 0.7871246819312640e-1; + v = 0.3491848770121379e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5726281253100033e+0; + b = 0.1187963808202981e+0; + v = 0.3539318235231476e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6133658776169068e+0; + b = 0.1587914708061787e+0; + v = 0.3570231438458694e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6515085491865307e+0; + b = 0.1983058575227646e+0; + v = 0.3586207335051714e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5778692716064976e+0; + b = 0.3977209689791542e-1; + v = 0.3541196205164025e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6207904288086192e+0; + b = 0.7990157592981152e-1; + v = 0.3574296911573953e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6608688171046802e+0; + b = 0.1199671308754309e+0; + v = 0.3591993279818963e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6656263089489130e+0; + b = 0.4015955957805969e-1; + v = 0.3595855034661997e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_3470() { + std::vector> grids; + double a = 0, b = 0, v = 0.2040382730826330e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.3178149703889544e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1721420832906233e-1; + v = 0.8288115128076110e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.4408875374981770e-1; + v = 0.1360883192522954e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7594680813878681e-1; + v = 0.1766854454542662e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1108335359204799e+0; + v = 0.2083153161230153e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1476517054388567e+0; + v = 0.2333279544657158e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1856731870860615e+0; + v = 0.2532809539930247e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2243634099428821e+0; + v = 0.2692472184211158e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2633006881662727e+0; + v = 0.2819949946811885e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3021340904916283e+0; + v = 0.2920953593973030e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3405594048030089e+0; + v = 0.2999889782948352e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3783044434007372e+0; + v = 0.3060292120496902e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4151194767407910e+0; + v = 0.3105109167522192e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4507705766443257e+0; + v = 0.3136902387550312e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4850346056573187e+0; + v = 0.3157984652454632e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5176950817792470e+0; + v = 0.3170516518425422e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5485384240820989e+0; + v = 0.3176568425633755e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6039117238943308e+0; + v = 0.3177198411207062e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6279956655573113e+0; + v = 0.3175519492394733e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6493636169568952e+0; + v = 0.3174654952634756e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6677644117704504e+0; + v = 0.3175676415467654e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6829368572115624e+0; + v = 0.3178923417835410e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6946195818184121e+0; + v = 0.3183788287531909e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7025711542057026e+0; + v = 0.3188755151918807e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7066004767140119e+0; + v = 0.3191916889313849e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.5132537689946062e-1; + v = 0.1231779611744508e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1297994661331225e+0; + v = 0.1924661373839880e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2188852049401307e+0; + v = 0.2380881867403424e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3123174824903457e+0; + v = 0.2693100663037885e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4064037620738195e+0; + v = 0.2908673382834366e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4984958396944782e+0; + v = 0.3053914619381535e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5864975046021365e+0; + v = 0.3143916684147777e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6686711634580175e+0; + v = 0.3187042244055363e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + a = 0.8715738780835950e-1; + b = 0.2557175233367578e-1; + v = 0.1635219535869790e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1248383123134007e+0; + b = 0.5604823383376681e-1; + v = 0.1968109917696070e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1638062693383378e+0; + b = 0.8968568601900765e-1; + v = 0.2236754342249974e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2035586203373176e+0; + b = 0.1254086651976279e+0; + v = 0.2453186687017181e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2436798975293774e+0; + b = 0.1624780150162012e+0; + v = 0.2627551791580541e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2838207507773806e+0; + b = 0.2003422342683208e+0; + v = 0.2767654860152220e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3236787502217692e+0; + b = 0.2385628026255263e+0; + v = 0.2879467027765895e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3629849554840691e+0; + b = 0.2767731148783578e+0; + v = 0.2967639918918702e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4014948081992087e+0; + b = 0.3146542308245309e+0; + v = 0.3035900684660351e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4389818379260225e+0; + b = 0.3519196415895088e+0; + v = 0.3087338237298308e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4752331143674377e+0; + b = 0.3883050984023654e+0; + v = 0.3124608838860167e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5100457318374018e+0; + b = 0.4235613423908649e+0; + v = 0.3150084294226743e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5432238388954868e+0; + b = 0.4574484717196220e+0; + v = 0.3165958398598402e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5745758685072442e+0; + b = 0.4897311639255524e+0; + v = 0.3174320440957372e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1723981437592809e+0; + b = 0.3010630597881105e-1; + v = 0.2182188909812599e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2149553257844597e+0; + b = 0.6326031554204694e-1; + v = 0.2399727933921445e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2573256081247422e+0; + b = 0.9848566980258631e-1; + v = 0.2579796133514652e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2993163751238106e+0; + b = 0.1350835952384266e+0; + v = 0.2727114052623535e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3407238005148000e+0; + b = 0.1725184055442181e+0; + v = 0.2846327656281355e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3813454978483264e+0; + b = 0.2103559279730725e+0; + v = 0.2941491102051334e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4209848104423343e+0; + b = 0.2482278774554860e+0; + v = 0.3016049492136107e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4594519699996300e+0; + b = 0.2858099509982883e+0; + v = 0.3072949726175648e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4965640166185930e+0; + b = 0.3228075659915428e+0; + v = 0.3114768142886460e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5321441655571562e+0; + b = 0.3589459907204151e+0; + v = 0.3143823673666223e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5660208438582166e+0; + b = 0.3939630088864310e+0; + v = 0.3162269764661535e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5980264315964364e+0; + b = 0.4276029922949089e+0; + v = 0.3172164663759821e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2644215852350733e+0; + b = 0.3300939429072552e-1; + v = 0.2554575398967435e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3090113743443063e+0; + b = 0.6803887650078501e-1; + v = 0.2701704069135677e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3525871079197808e+0; + b = 0.1044326136206709e+0; + v = 0.2823693413468940e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3950418005354029e+0; + b = 0.1416751597517679e+0; + v = 0.2922898463214289e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4362475663430163e+0; + b = 0.1793408610504821e+0; + v = 0.3001829062162428e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4760661812145854e+0; + b = 0.2170630750175722e+0; + v = 0.3062890864542953e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5143551042512103e+0; + b = 0.2545145157815807e+0; + v = 0.3108328279264746e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5509709026935597e+0; + b = 0.2913940101706601e+0; + v = 0.3140243146201245e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5857711030329428e+0; + b = 0.3274169910910705e+0; + v = 0.3160638030977130e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6186149917404392e+0; + b = 0.3623081329317265e+0; + v = 0.3171462882206275e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3586894569557064e+0; + b = 0.3497354386450040e-1; + v = 0.2812388416031796e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4035266610019441e+0; + b = 0.7129736739757095e-1; + v = 0.2912137500288045e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4467775312332510e+0; + b = 0.1084758620193165e+0; + v = 0.2993241256502206e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4883638346608543e+0; + b = 0.1460915689241772e+0; + v = 0.3057101738983822e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5281908348434601e+0; + b = 0.1837790832369980e+0; + v = 0.3105319326251432e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5661542687149311e+0; + b = 0.2212075390874021e+0; + v = 0.3139565514428167e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6021450102031452e+0; + b = 0.2580682841160985e+0; + v = 0.3161543006806366e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6360520783610050e+0; + b = 0.2940656362094121e+0; + v = 0.3172985960613294e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4521611065087196e+0; + b = 0.3631055365867002e-1; + v = 0.2989400336901431e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4959365651560963e+0; + b = 0.7348318468484350e-1; + v = 0.3054555883947677e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5376815804038283e+0; + b = 0.1111087643812648e+0; + v = 0.3104764960807702e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5773314480243768e+0; + b = 0.1488226085145408e+0; + v = 0.3141015825977616e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6148113245575056e+0; + b = 0.1862892274135151e+0; + v = 0.3164520621159896e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6500407462842380e+0; + b = 0.2231909701714456e+0; + v = 0.3176652305912204e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5425151448707213e+0; + b = 0.3718201306118944e-1; + v = 0.3105097161023939e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5841860556907931e+0; + b = 0.7483616335067346e-1; + v = 0.3143014117890550e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6234632186851500e+0; + b = 0.1125990834266120e+0; + v = 0.3168172866287200e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6602934551848843e+0; + b = 0.1501303813157619e+0; + v = 0.3181401865570968e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6278573968375105e+0; + b = 0.3767559930245720e-1; + v = 0.3170663659156037e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6665611711264577e+0; + b = 0.7548443301360158e-1; + v = 0.3185447944625510e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + +std::vector> MakeAngularGrid_3890() { + std::vector> grids; + double a = 0, b = 0, v = 0.1807395252196920e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2848008782238827e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2836065837530581e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1587876419858352e-1; + v = 0.7013149266673816e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4069193593751206e-1; + v = 0.1162798021956766e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7025888115257997e-1; + v = 0.1518728583972105e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1027495450028704e+0; + v = 0.1798796108216934e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1371457730893426e+0; + v = 0.2022593385972785e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1727758532671953e+0; + v = 0.2203093105575464e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2091492038929037e+0; + v = 0.2349294234299855e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2458813281751915e+0; + v = 0.2467682058747003e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2826545859450066e+0; + v = 0.2563092683572224e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3191957291799622e+0; + v = 0.2639253896763318e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3552621469299578e+0; + v = 0.2699137479265108e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3906329503406230e+0; + v = 0.2745196420166739e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4251028614093031e+0; + v = 0.2779529197397593e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4584777520111870e+0; + v = 0.2803996086684265e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4905711358710193e+0; + v = 0.2820302356715842e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5212011669847385e+0; + v = 0.2830056747491068e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5501878488737995e+0; + v = 0.2834808950776839e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6025037877479342e+0; + v = 0.2835282339078929e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6254572689549016e+0; + v = 0.2833819267065800e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6460107179528248e+0; + v = 0.2832858336906784e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6639541138154251e+0; + v = 0.2833268235451244e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6790688515667495e+0; + v = 0.2835432677029253e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6911338580371512e+0; + v = 0.2839091722743049e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6999385956126490e+0; + v = 0.2843308178875841e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7053037748656896e+0; + v = 0.2846703550533846e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4732224387180115e-1; + v = 0.1051193406971900e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1202100529326803e+0; + v = 0.1657871838796974e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2034304820664855e+0; + v = 0.2064648113714232e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2912285643573002e+0; + v = 0.2347942745819741e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3802361792726768e+0; + v = 0.2547775326597726e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4680598511056146e+0; + v = 0.2686876684847025e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5528151052155599e+0; + v = 0.2778665755515867e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6329386307803041e+0; + v = 0.2830996616782929e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8056516651369069e-1; + b = 0.2363454684003124e-1; + v = 0.1403063340168372e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1156476077139389e+0; + b = 0.5191291632545936e-1; + v = 0.1696504125939477e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1520473382760421e+0; + b = 0.8322715736994519e-1; + v = 0.1935787242745390e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1892986699745931e+0; + b = 0.1165855667993712e+0; + v = 0.2130614510521968e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2270194446777792e+0; + b = 0.1513077167409504e+0; + v = 0.2289381265931048e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2648908185093273e+0; + b = 0.1868882025807859e+0; + v = 0.2418630292816186e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3026389259574136e+0; + b = 0.2229277629776224e+0; + v = 0.2523400495631193e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3400220296151384e+0; + b = 0.2590951840746235e+0; + v = 0.2607623973449605e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3768217953335510e+0; + b = 0.2951047291750847e+0; + v = 0.2674441032689209e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4128372900921884e+0; + b = 0.3307019714169930e+0; + v = 0.2726432360343356e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4478807131815630e+0; + b = 0.3656544101087634e+0; + v = 0.2765787685924545e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4817742034089257e+0; + b = 0.3997448951939695e+0; + v = 0.2794428690642224e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5143472814653344e+0; + b = 0.4327667110812024e+0; + v = 0.2814099002062895e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5454346213905650e+0; + b = 0.4645196123532293e+0; + v = 0.2826429531578994e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5748739313170252e+0; + b = 0.4948063555703345e+0; + v = 0.2832983542550884e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1599598738286342e+0; + b = 0.2792357590048985e-1; + v = 0.1886695565284976e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1998097412500951e+0; + b = 0.5877141038139065e-1; + v = 0.2081867882748234e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2396228952566202e+0; + b = 0.9164573914691377e-1; + v = 0.2245148680600796e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2792228341097746e+0; + b = 0.1259049641962687e+0; + v = 0.2380370491511872e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3184251107546741e+0; + b = 0.1610594823400863e+0; + v = 0.2491398041852455e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3570481164426244e+0; + b = 0.1967151653460898e+0; + v = 0.2581632405881230e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3949164710492144e+0; + b = 0.2325404606175168e+0; + v = 0.2653965506227417e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4318617293970503e+0; + b = 0.2682461141151439e+0; + v = 0.2710857216747087e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4677221009931678e+0; + b = 0.3035720116011973e+0; + v = 0.2754434093903659e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5023417939270955e+0; + b = 0.3382781859197439e+0; + v = 0.2786579932519380e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5355701836636128e+0; + b = 0.3721383065625942e+0; + v = 0.2809011080679474e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5672608451328771e+0; + b = 0.4049346360466055e+0; + v = 0.2823336184560987e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5972704202540162e+0; + b = 0.4364538098633802e+0; + v = 0.2831101175806309e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2461687022333596e+0; + b = 0.3070423166833368e-1; + v = 0.2221679970354546e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2881774566286831e+0; + b = 0.6338034669281885e-1; + v = 0.2356185734270703e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3293963604116978e+0; + b = 0.9742862487067941e-1; + v = 0.2469228344805590e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3697303822241377e+0; + b = 0.1323799532282290e+0; + v = 0.2562726348642046e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4090663023135127e+0; + b = 0.1678497018129336e+0; + v = 0.2638756726753028e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4472819355411712e+0; + b = 0.2035095105326114e+0; + v = 0.2699311157390862e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4842513377231437e+0; + b = 0.2390692566672091e+0; + v = 0.2746233268403837e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5198477629962928e+0; + b = 0.2742649818076149e+0; + v = 0.2781225674454771e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5539453011883145e+0; + b = 0.3088503806580094e+0; + v = 0.2805881254045684e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5864196762401251e+0; + b = 0.3425904245906614e+0; + v = 0.2821719877004913e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6171484466668390e+0; + b = 0.3752562294789468e+0; + v = 0.2830222502333124e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3350337830565727e+0; + b = 0.3261589934634747e-1; + v = 0.2457995956744870e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3775773224758284e+0; + b = 0.6658438928081572e-1; + v = 0.2551474407503706e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4188155229848973e+0; + b = 0.1014565797157954e+0; + v = 0.2629065335195311e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4586805892009344e+0; + b = 0.1368573320843822e+0; + v = 0.2691900449925075e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4970895714224235e+0; + b = 0.1724614851951608e+0; + v = 0.2741275485754276e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5339505133960747e+0; + b = 0.2079779381416412e+0; + v = 0.2778530970122595e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5691665792531440e+0; + b = 0.2431385788322288e+0; + v = 0.2805010567646741e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6026387682680377e+0; + b = 0.2776901883049853e+0; + v = 0.2822055834031040e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6342676150163307e+0; + b = 0.3113881356386632e+0; + v = 0.2831016901243473e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4237951119537067e+0; + b = 0.3394877848664351e-1; + v = 0.2624474901131803e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4656918683234929e+0; + b = 0.6880219556291447e-1; + v = 0.2688034163039377e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5058857069185980e+0; + b = 0.1041946859721635e+0; + v = 0.2738932751287636e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5443204666713996e+0; + b = 0.1398039738736393e+0; + v = 0.2777944791242523e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5809298813759742e+0; + b = 0.1753373381196155e+0; + v = 0.2806011661660987e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6156416039447128e+0; + b = 0.2105215793514010e+0; + v = 0.2824181456597460e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6483801351066604e+0; + b = 0.2450953312157051e+0; + v = 0.2833585216577828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5103616577251688e+0; + b = 0.3485560643800719e-1; + v = 0.2738165236962878e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5506738792580681e+0; + b = 0.7026308631512033e-1; + v = 0.2778365208203180e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5889573040995292e+0; + b = 0.1059035061296403e+0; + v = 0.2807852940418966e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6251641589516930e+0; + b = 0.1414823925236026e+0; + v = 0.2827245949674705e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6592414921570178e+0; + b = 0.1767207908214530e+0; + v = 0.2837342344829828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5930314017533384e+0; + b = 0.3542189339561672e-1; + v = 0.2809233907610981e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6309812253390175e+0; + b = 0.7109574040369549e-1; + v = 0.2829930809742694e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6666296011353230e+0; + b = 0.1067259792282730e+0; + v = 0.2841097874111479e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6703715271049922e+0; + b = 0.3569455268820809e-1; + v = 0.2843455206008783e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + + +std::vector> MakeAngularGrid_4334() { + std::vector> grids; + double a = 0, b = 0, v = 0.1449063022537883e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2546377329828424e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1462896151831013e-1; + v = 0.6018432961087496e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3769840812493139e-1; + v = 0.1002286583263673e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6524701904096891e-1; + v = 0.1315222931028093e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9560543416134648e-1; + v = 0.1564213746876724e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1278335898929198e+0; + v = 0.1765118841507736e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1613096104466031e+0; + v = 0.1928737099311080e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1955806225745371e+0; + v = 0.2062658534263270e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2302935218498028e+0; + v = 0.2172395445953787e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2651584344113027e+0; + v = 0.2262076188876047e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2999276825183209e+0; + v = 0.2334885699462397e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3343828669718798e+0; + v = 0.2393355273179203e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3683265013750518e+0; + v = 0.2439559200468863e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4015763206518108e+0; + v = 0.2475251866060002e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4339612026399770e+0; + v = 0.2501965558158773e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4653180651114582e+0; + v = 0.2521081407925925e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4954893331080803e+0; + v = 0.2533881002388081e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5243207068924930e+0; + v = 0.2541582900848261e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5516590479041704e+0; + v = 0.2545365737525860e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6012371927804176e+0; + v = 0.2545726993066799e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6231574466449819e+0; + v = 0.2544456197465555e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6429416514181271e+0; + v = 0.2543481596881064e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6604124272943595e+0; + v = 0.2543506451429194e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6753851470408250e+0; + v = 0.2544905675493763e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6876717970626160e+0; + v = 0.2547611407344429e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6970895061319234e+0; + v = 0.2551060375448869e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7034746912553310e+0; + v = 0.2554291933816039e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7067017217542295e+0; + v = 0.2556255710686343e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4382223501131123e-1; + v = 0.9041339695118195e-4; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1117474077400006e+0; + v = 0.1438426330079022e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1897153252911440e+0; + v = 0.1802523089820518e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2724023009910331e+0; + v = 0.2060052290565496e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3567163308709902e+0; + v = 0.2245002248967466e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4404784483028087e+0; + v = 0.2377059847731150e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5219833154161411e+0; + v = 0.2468118955882525e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5998179868977553e+0; + v = 0.2525410872966528e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6727803154548222e+0; + v = 0.2553101409933397e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7476563943166086e-1; + b = 0.2193168509461185e-1; + v = 0.1212879733668632e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1075341482001416e+0; + b = 0.4826419281533887e-1; + v = 0.1472872881270931e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1416344885203259e+0; + b = 0.7751191883575742e-1; + v = 0.1686846601010828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1766325315388586e+0; + b = 0.1087558139247680e+0; + v = 0.1862698414660208e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2121744174481514e+0; + b = 0.1413661374253096e+0; + v = 0.2007430956991861e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2479669443408145e+0; + b = 0.1748768214258880e+0; + v = 0.2126568125394796e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2837600452294113e+0; + b = 0.2089216406612073e+0; + v = 0.2224394603372113e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3193344933193984e+0; + b = 0.2431987685545972e+0; + v = 0.2304264522673135e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3544935442438745e+0; + b = 0.2774497054377770e+0; + v = 0.2368854288424087e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3890571932288154e+0; + b = 0.3114460356156915e+0; + v = 0.2420352089461772e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4228581214259090e+0; + b = 0.3449806851913012e+0; + v = 0.2460597113081295e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4557387211304052e+0; + b = 0.3778618641248256e+0; + v = 0.2491181912257687e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4875487950541643e+0; + b = 0.4099086391698978e+0; + v = 0.2513528194205857e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5181436529962997e+0; + b = 0.4409474925853973e+0; + v = 0.2528943096693220e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5473824095600661e+0; + b = 0.4708094517711291e+0; + v = 0.2538660368488136e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5751263398976174e+0; + b = 0.4993275140354637e+0; + v = 0.2543868648299022e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1489515746840028e+0; + b = 0.2599381993267017e-1; + v = 0.1642595537825183e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1863656444351767e+0; + b = 0.5479286532462190e-1; + v = 0.1818246659849308e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2238602880356348e+0; + b = 0.8556763251425254e-1; + v = 0.1966565649492420e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2612723375728160e+0; + b = 0.1177257802267011e+0; + v = 0.2090677905657991e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2984332990206190e+0; + b = 0.1508168456192700e+0; + v = 0.2193820409510504e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3351786584663333e+0; + b = 0.1844801892177727e+0; + v = 0.2278870827661928e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3713505522209120e+0; + b = 0.2184145236087598e+0; + v = 0.2348283192282090e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4067981098954663e+0; + b = 0.2523590641486229e+0; + v = 0.2404139755581477e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4413769993687534e+0; + b = 0.2860812976901373e+0; + v = 0.2448227407760734e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4749487182516394e+0; + b = 0.3193686757808996e+0; + v = 0.2482110455592573e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5073798105075426e+0; + b = 0.3520226949547602e+0; + v = 0.2507192397774103e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5385410448878654e+0; + b = 0.3838544395667890e+0; + v = 0.2524765968534880e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5683065353670530e+0; + b = 0.4146810037640963e+0; + v = 0.2536052388539425e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5965527620663510e+0; + b = 0.4443224094681121e+0; + v = 0.2542230588033068e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2299227700856157e+0; + b = 0.2865757664057584e-1; + v = 0.1944817013047896e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2695752998553267e+0; + b = 0.5923421684485993e-1; + v = 0.2067862362746635e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3086178716611389e+0; + b = 0.9117817776057715e-1; + v = 0.2172440734649114e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3469649871659077e+0; + b = 0.1240593814082605e+0; + v = 0.2260125991723423e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3845153566319655e+0; + b = 0.1575272058259175e+0; + v = 0.2332655008689523e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4211600033403215e+0; + b = 0.1912845163525413e+0; + v = 0.2391699681532458e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4567867834329882e+0; + b = 0.2250710177858171e+0; + v = 0.2438801528273928e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4912829319232061e+0; + b = 0.2586521303440910e+0; + v = 0.2475370504260665e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5245364793303812e+0; + b = 0.2918112242865407e+0; + v = 0.2502707235640574e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5564369788915756e+0; + b = 0.3243439239067890e+0; + v = 0.2522031701054241e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5868757697775287e+0; + b = 0.3560536787835351e+0; + v = 0.2534511269978784e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6157458853519617e+0; + b = 0.3867480821242581e+0; + v = 0.2541284914955151e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3138461110672113e+0; + b = 0.3051374637507278e-1; + v = 0.2161509250688394e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3542495872050569e+0; + b = 0.6237111233730755e-1; + v = 0.2248778513437852e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3935751553120181e+0; + b = 0.9516223952401907e-1; + v = 0.2322388803404617e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4317634668111147e+0; + b = 0.1285467341508517e+0; + v = 0.2383265471001355e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4687413842250821e+0; + b = 0.1622318931656033e+0; + v = 0.2432476675019525e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5044274237060283e+0; + b = 0.1959581153836453e+0; + v = 0.2471122223750674e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5387354077925727e+0; + b = 0.2294888081183837e+0; + v = 0.2500291752486870e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5715768898356105e+0; + b = 0.2626031152713945e+0; + v = 0.2521055942764682e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6028627200136111e+0; + b = 0.2950904075286713e+0; + v = 0.2534472785575503e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6325039812653463e+0; + b = 0.3267458451113286e+0; + v = 0.2541599713080121e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3981986708423407e+0; + b = 0.3183291458749821e-1; + v = 0.2317380975862936e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4382791182133300e+0; + b = 0.6459548193880908e-1; + v = 0.2378550733719775e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4769233057218166e+0; + b = 0.9795757037087952e-1; + v = 0.2428884456739118e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5140823911194238e+0; + b = 0.1316307235126655e+0; + v = 0.2469002655757292e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5496977833862983e+0; + b = 0.1653556486358704e+0; + v = 0.2499657574265851e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5837047306512727e+0; + b = 0.1988931724126510e+0; + v = 0.2521676168486082e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6160349566926879e+0; + b = 0.2320174581438950e+0; + v = 0.2535935662645334e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6466185353209440e+0; + b = 0.2645106562168662e+0; + v = 0.2543356743363214e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4810835158795404e+0; + b = 0.3275917807743992e-1; + v = 0.2427353285201535e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5199925041324341e+0; + b = 0.6612546183967181e-1; + v = 0.2468258039744386e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5571717692207494e+0; + b = 0.9981498331474143e-1; + v = 0.2500060956440310e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5925789250836378e+0; + b = 0.1335687001410374e+0; + v = 0.2523238365420979e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6261658523859670e+0; + b = 0.1671444402896463e+0; + v = 0.2538399260252846e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6578811126669331e+0; + b = 0.2003106382156076e+0; + v = 0.2546255927268069e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5609624612998100e+0; + b = 0.3337500940231335e-1; + v = 0.2500583360048449e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5979959659984670e+0; + b = 0.6708750335901803e-1; + v = 0.2524777638260203e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6330523711054002e+0; + b = 0.1008792126424850e+0; + v = 0.2540951193860656e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6660960998103972e+0; + b = 0.1345050343171794e+0; + v = 0.2549524085027472e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6365384364585819e+0; + b = 0.3372799460737052e-1; + v = 0.2542569507009158e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6710994302899275e+0; + b = 0.6755249309678028e-1; + v = 0.2552114127580376e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + + + +std::vector> MakeAngularGrid_4802() { + std::vector> grids; + double a = 0, b = 0, v = 0.9687521879420705e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.2307897895367918e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + v = 0.2297310852498558e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2335728608887064e-1; + v = 0.7386265944001919e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4352987836550653e-1; + v = 0.8257977698542210e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6439200521088801e-1; + v = 0.9706044762057630e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9003943631993181e-1; + v = 0.1302393847117003e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1196706615548473e+0; + v = 0.1541957004600968e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1511715412838134e+0; + v = 0.1704459770092199e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1835982828503801e+0; + v = 0.1827374890942906e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2165081259155405e+0; + v = 0.1926360817436107e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2496208720417563e+0; + v = 0.2008010239494833e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2827200673567900e+0; + v = 0.2075635983209175e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3156190823994346e+0; + v = 0.2131306638690909e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3481476793749115e+0; + v = 0.2176562329937335e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3801466086947226e+0; + v = 0.2212682262991018e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4114652119634011e+0; + v = 0.2240799515668565e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4419598786519751e+0; + v = 0.2261959816187525e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4714925949329543e+0; + v = 0.2277156368808855e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4999293972879466e+0; + v = 0.2287351772128336e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5271387221431248e+0; + v = 0.2293490814084085e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5529896780837761e+0; + v = 0.2296505312376273e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6000856099481712e+0; + v = 0.2296793832318756e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6210562192785175e+0; + v = 0.2295785443842974e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6401165879934240e+0; + v = 0.2295017931529102e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6571144029244334e+0; + v = 0.2295059638184868e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6718910821718863e+0; + v = 0.2296232343237362e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6842845591099010e+0; + v = 0.2298530178740771e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6941353476269816e+0; + v = 0.2301579790280501e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7012965242212991e+0; + v = 0.2304690404996513e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7056471428242644e+0; + v = 0.2307027995907102e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4595557643585895e-1; + v = 0.9312274696671092e-4; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1049316742435023e+0; + v = 0.1199919385876926e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1773548879549274e+0; + v = 0.1598039138877690e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2559071411236127e+0; + v = 0.1822253763574900e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3358156837985898e+0; + v = 0.1988579593655040e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4155835743763893e+0; + v = 0.2112620102533307e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4937894296167472e+0; + v = 0.2201594887699007e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5691569694793316e+0; + v = 0.2261622590895036e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6405840854894251e+0; + v = 0.2296458453435705e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7345133894143348e-1; + b = 0.2177844081486067e-1; + v = 0.1006006990267000e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1009859834044931e+0; + b = 0.4590362185775188e-1; + v = 0.1227676689635876e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1324289619748758e+0; + b = 0.7255063095690877e-1; + v = 0.1467864280270117e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1654272109607127e+0; + b = 0.1017825451960684e+0; + v = 0.1644178912101232e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1990767186776461e+0; + b = 0.1325652320980364e+0; + v = 0.1777664890718961e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2330125945523278e+0; + b = 0.1642765374496765e+0; + v = 0.1884825664516690e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2670080611108287e+0; + b = 0.1965360374337889e+0; + v = 0.1973269246453848e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3008753376294316e+0; + b = 0.2290726770542238e+0; + v = 0.2046767775855328e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3344475596167860e+0; + b = 0.2616645495370823e+0; + v = 0.2107600125918040e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3675709724070786e+0; + b = 0.2941150728843141e+0; + v = 0.2157416362266829e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4001000887587812e+0; + b = 0.3262440400919066e+0; + v = 0.2197557816920721e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4318956350436028e+0; + b = 0.3578835350611916e+0; + v = 0.2229192611835437e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4628239056795531e+0; + b = 0.3888751854043678e+0; + v = 0.2253385110212775e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4927563229773636e+0; + b = 0.4190678003222840e+0; + v = 0.2271137107548774e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5215687136707969e+0; + b = 0.4483151836883852e+0; + v = 0.2283414092917525e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5491402346984905e+0; + b = 0.4764740676087880e+0; + v = 0.2291161673130077e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5753520160126075e+0; + b = 0.5034021310998277e+0; + v = 0.2295313908576598e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1388326356417754e+0; + b = 0.2435436510372806e-1; + v = 0.1438204721359031e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1743686900537244e+0; + b = 0.5118897057342652e-1; + v = 0.1607738025495257e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2099737037950268e+0; + b = 0.8014695048539634e-1; + v = 0.1741483853528379e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2454492590908548e+0; + b = 0.1105117874155699e+0; + v = 0.1851918467519151e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2807219257864278e+0; + b = 0.1417950531570966e+0; + v = 0.1944628638070613e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3156842271975842e+0; + b = 0.1736604945719597e+0; + v = 0.2022495446275152e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3502090945177752e+0; + b = 0.2058466324693981e+0; + v = 0.2087462382438514e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3841684849519686e+0; + b = 0.2381284261195919e+0; + v = 0.2141074754818308e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4174372367906016e+0; + b = 0.2703031270422569e+0; + v = 0.2184640913748162e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4498926465011892e+0; + b = 0.3021845683091309e+0; + v = 0.2219309165220329e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4814146229807701e+0; + b = 0.3335993355165720e+0; + v = 0.2246123118340624e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5118863625734701e+0; + b = 0.3643833735518232e+0; + v = 0.2266062766915125e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5411947455119144e+0; + b = 0.3943789541958179e+0; + v = 0.2280072952230796e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5692301500357246e+0; + b = 0.4234320144403542e+0; + v = 0.2289082025202583e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5958857204139576e+0; + b = 0.4513897947419260e+0; + v = 0.2294012695120025e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2156270284785766e+0; + b = 0.2681225755444491e-1; + v = 0.1722434488736947e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2532385054909710e+0; + b = 0.5557495747805614e-1; + v = 0.1830237421455091e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2902564617771537e+0; + b = 0.8569368062950249e-1; + v = 0.1923855349997633e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3266979823143256e+0; + b = 0.1167367450324135e+0; + v = 0.2004067861936271e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3625039627493614e+0; + b = 0.1483861994003304e+0; + v = 0.2071817297354263e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3975838937548699e+0; + b = 0.1803821503011405e+0; + v = 0.2128250834102103e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4318396099009774e+0; + b = 0.2124962965666424e+0; + v = 0.2174513719440102e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4651706555732742e+0; + b = 0.2445221837805913e+0; + v = 0.2211661839150214e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4974752649620969e+0; + b = 0.2762701224322987e+0; + v = 0.2240665257813102e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5286517579627517e+0; + b = 0.3075627775211328e+0; + v = 0.2262439516632620e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5586001195731895e+0; + b = 0.3382311089826877e+0; + v = 0.2277874557231869e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5872229902021319e+0; + b = 0.3681108834741399e+0; + v = 0.2287854314454994e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6144258616235123e+0; + b = 0.3970397446872839e+0; + v = 0.2293268499615575e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2951676508064861e+0; + b = 0.2867499538750441e-1; + v = 0.1912628201529828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3335085485472725e+0; + b = 0.5867879341903510e-1; + v = 0.1992499672238701e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3709561760636381e+0; + b = 0.8961099205022284e-1; + v = 0.2061275533454027e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4074722861667498e+0; + b = 0.1211627927626297e+0; + v = 0.2119318215968572e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4429923648839117e+0; + b = 0.1530748903554898e+0; + v = 0.2167416581882652e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4774428052721736e+0; + b = 0.1851176436721877e+0; + v = 0.2206430730516600e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5107446539535904e+0; + b = 0.2170829107658179e+0; + v = 0.2237186938699523e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5428151370542935e+0; + b = 0.2487786689026271e+0; + v = 0.2260480075032884e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5735699292556964e+0; + b = 0.2800239952795016e+0; + v = 0.2277098884558542e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6029253794562866e+0; + b = 0.3106445702878119e+0; + v = 0.2287845715109671e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6307998987073145e+0; + b = 0.3404689500841194e+0; + v = 0.2293547268236294e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3752652273692719e+0; + b = 0.2997145098184479e-1; + v = 0.2056073839852528e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4135383879344028e+0; + b = 0.6086725898678011e-1; + v = 0.2114235865831876e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4506113885153907e+0; + b = 0.9238849548435643e-1; + v = 0.2163175629770551e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4864401554606072e+0; + b = 0.1242786603851851e+0; + v = 0.2203392158111650e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5209708076611709e+0; + b = 0.1563086731483386e+0; + v = 0.2235473176847839e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5541422135830122e+0; + b = 0.1882696509388506e+0; + v = 0.2260024141501235e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5858880915113817e+0; + b = 0.2199672979126059e+0; + v = 0.2277675929329182e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6161399390603444e+0; + b = 0.2512165482924867e+0; + v = 0.2289102112284834e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6448296482255090e+0; + b = 0.2818368701871888e+0; + v = 0.2295027954625118e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4544796274917948e+0; + b = 0.3088970405060312e-1; + v = 0.2161281589879992e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4919389072146628e+0; + b = 0.6240947677636835e-1; + v = 0.2201980477395102e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5279313026985183e+0; + b = 0.9430706144280313e-1; + v = 0.2234952066593166e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5624169925571135e+0; + b = 0.1263547818770374e+0; + v = 0.2260540098520838e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5953484627093287e+0; + b = 0.1583430788822594e+0; + v = 0.2279157981899988e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6266730715339185e+0; + b = 0.1900748462555988e+0; + v = 0.2291296918565571e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6563363204278871e+0; + b = 0.2213599519592567e+0; + v = 0.2297533752536649e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5314574716585696e+0; + b = 0.3152508811515374e-1; + v = 0.2234927356465995e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5674614932298185e+0; + b = 0.6343865291465561e-1; + v = 0.2261288012985219e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6017706004970264e+0; + b = 0.9551503504223951e-1; + v = 0.2280818160923688e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6343471270264178e+0; + b = 0.1275440099801196e+0; + v = 0.2293773295180159e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6651494599127802e+0; + b = 0.1593252037671960e+0; + v = 0.2300528767338634e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6050184986005704e+0; + b = 0.3192538338496105e-1; + v = 0.2281893855065666e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6390163550880400e+0; + b = 0.6402824353962306e-1; + v = 0.2295720444840727e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6711199107088448e+0; + b = 0.9609805077002909e-1; + v = 0.2303227649026753e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6741354429572275e+0; + b = 0.3211853196273233e-1; + v = 0.2304831913227114e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + + +std::vector> MakeAngularGrid_5294() { + std::vector> grids; + double a = 0, b = 0, v = 0.9080510764308163e-4; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + + v = 0.2084824361987793e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.2303261686261450e-1; + v = 0.5011105657239616e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3757208620162394e-1; + v = 0.5942520409683854e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5821912033821852e-1; + v = 0.9564394826109721e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8403127529194872e-1; + v = 0.1185530657126338e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1122927798060578e+0; + v = 0.1364510114230331e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1420125319192987e+0; + v = 0.1505828825605415e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1726396437341978e+0; + v = 0.1619298749867023e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2038170058115696e+0; + v = 0.1712450504267789e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2352849892876508e+0; + v = 0.1789891098164999e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2668363354312461e+0; + v = 0.1854474955629795e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2982941279900452e+0; + v = 0.1908148636673661e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3295002922087076e+0; + v = 0.1952377405281833e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3603094918363593e+0; + v = 0.1988349254282232e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3905857895173920e+0; + v = 0.2017079807160050e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4202005758160837e+0; + v = 0.2039473082709094e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4490310061597227e+0; + v = 0.2056360279288953e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4769586160311491e+0; + v = 0.2068525823066865e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5038679887049750e+0; + v = 0.2076724877534488e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5296454286519961e+0; + v = 0.2081694278237885e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5541776207164850e+0; + v = 0.2084157631219326e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5990467321921213e+0; + v = 0.2084381531128593e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6191467096294587e+0; + v = 0.2083476277129307e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6375251212901849e+0; + v = 0.2082686194459732e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6540514381131168e+0; + v = 0.2082475686112415e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6685899064391510e+0; + v = 0.2083139860289915e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6810013009681648e+0; + v = 0.2084745561831237e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6911469578730340e+0; + v = 0.2087091313375890e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6988956915141736e+0; + v = 0.2089718413297697e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7041335794868720e+0; + v = 0.2092003303479793e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7067754398018567e+0; + v = 0.2093336148263241e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3840368707853623e-1; + v = 0.7591708117365267e-4; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9835485954117399e-1; + v = 0.1083383968169186e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1665774947612998e+0; + v = 0.1403019395292510e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2405702335362910e+0; + v = 0.1615970179286436e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3165270770189046e+0; + v = 0.1771144187504911e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3927386145645443e+0; + v = 0.1887760022988168e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4678825918374656e+0; + v = 0.1973474670768214e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5408022024266935e+0; + v = 0.2033787661234659e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6104967445752438e+0; + v = 0.2072343626517331e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6760910702685738e+0; + v = 0.2091177834226918e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.6655644120217392e-1; + b = 0.1936508874588424e-1; + v = 0.9316684484675566e-4; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9446246161270182e-1; + b = 0.4252442002115869e-1; + v = 0.1116193688682976e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1242651925452509e+0; + b = 0.6806529315354374e-1; + v = 0.1298623551559414e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1553438064846751e+0; + b = 0.9560957491205369e-1; + v = 0.1450236832456426e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1871137110542670e+0; + b = 0.1245931657452888e+0; + v = 0.1572719958149914e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2192612628836257e+0; + b = 0.1545385828778978e+0; + v = 0.1673234785867195e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2515682807206955e+0; + b = 0.1851004249723368e+0; + v = 0.1756860118725188e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2838535866287290e+0; + b = 0.2160182608272384e+0; + v = 0.1826776290439367e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3159578817528521e+0; + b = 0.2470799012277111e+0; + v = 0.1885116347992865e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3477370882791392e+0; + b = 0.2781014208986402e+0; + v = 0.1933457860170574e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3790576960890540e+0; + b = 0.3089172523515731e+0; + v = 0.1973060671902064e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4097938317810200e+0; + b = 0.3393750055472244e+0; + v = 0.2004987099616311e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4398256572859637e+0; + b = 0.3693322470987730e+0; + v = 0.2030170909281499e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4690384114718480e+0; + b = 0.3986541005609877e+0; + v = 0.2049461460119080e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4973216048301053e+0; + b = 0.4272112491408562e+0; + v = 0.2063653565200186e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5245681526132446e+0; + b = 0.4548781735309936e+0; + v = 0.2073507927381027e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5506733911803888e+0; + b = 0.4815315355023251e+0; + v = 0.2079764593256122e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5755339829522475e+0; + b = 0.5070486445801855e+0; + v = 0.2083150534968778e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1305472386056362e+0; + b = 0.2284970375722366e-1; + v = 0.1262715121590664e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1637327908216477e+0; + b = 0.4812254338288384e-1; + v = 0.1414386128545972e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1972734634149637e+0; + b = 0.7531734457511935e-1; + v = 0.1538740401313898e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2308694653110130e+0; + b = 0.1039043639882017e+0; + v = 0.1642434942331432e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2643899218338160e+0; + b = 0.1334526587117626e+0; + v = 0.1729790609237496e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2977171599622171e+0; + b = 0.1636414868936382e+0; + v = 0.1803505190260828e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3307293903032310e+0; + b = 0.1942195406166568e+0; + v = 0.1865475350079657e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3633069198219073e+0; + b = 0.2249752879943753e+0; + v = 0.1917182669679069e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3953346955922727e+0; + b = 0.2557218821820032e+0; + v = 0.1959851709034382e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4267018394184914e+0; + b = 0.2862897925213193e+0; + v = 0.1994529548117882e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4573009622571704e+0; + b = 0.3165224536636518e+0; + v = 0.2022138911146548e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4870279559856109e+0; + b = 0.3462730221636496e+0; + v = 0.2043518024208592e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5157819581450322e+0; + b = 0.3754016870282835e+0; + v = 0.2059450313018110e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5434651666465393e+0; + b = 0.4037733784993613e+0; + v = 0.2070685715318472e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5699823887764627e+0; + b = 0.4312557784139123e+0; + v = 0.2077955310694373e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5952403350947741e+0; + b = 0.4577175367122110e+0; + v = 0.2081980387824712e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2025152599210369e+0; + b = 0.2520253617719557e-1; + v = 0.1521318610377956e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2381066653274425e+0; + b = 0.5223254506119000e-1; + v = 0.1622772720185755e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2732823383651612e+0; + b = 0.8060669688588620e-1; + v = 0.1710498139420709e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3080137692611118e+0; + b = 0.1099335754081255e+0; + v = 0.1785911149448736e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3422405614587601e+0; + b = 0.1399120955959857e+0; + v = 0.1850125313687736e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3758808773890420e+0; + b = 0.1702977801651705e+0; + v = 0.1904229703933298e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4088458383438932e+0; + b = 0.2008799256601680e+0; + v = 0.1949259956121987e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4410450550841152e+0; + b = 0.2314703052180836e+0; + v = 0.1986161545363960e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4723879420561312e+0; + b = 0.2618972111375892e+0; + v = 0.2015790585641370e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5027843561874343e+0; + b = 0.2920013195600270e+0; + v = 0.2038934198707418e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5321453674452458e+0; + b = 0.3216322555190551e+0; + v = 0.2056334060538251e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5603839113834030e+0; + b = 0.3506456615934198e+0; + v = 0.2068705959462289e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5874150706875146e+0; + b = 0.3789007181306267e+0; + v = 0.2076753906106002e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6131559381660038e+0; + b = 0.4062580170572782e+0; + v = 0.2081179391734803e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2778497016394506e+0; + b = 0.2696271276876226e-1; + v = 0.1700345216228943e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3143733562261912e+0; + b = 0.5523469316960465e-1; + v = 0.1774906779990410e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3501485810261827e+0; + b = 0.8445193201626464e-1; + v = 0.1839659377002642e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3851430322303653e+0; + b = 0.1143263119336083e+0; + v = 0.1894987462975169e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4193013979470415e+0; + b = 0.1446177898344475e+0; + v = 0.1941548809452595e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4525585960458567e+0; + b = 0.1751165438438091e+0; + v = 0.1980078427252384e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4848447779622947e+0; + b = 0.2056338306745660e+0; + v = 0.2011296284744488e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5160871208276894e+0; + b = 0.2359965487229226e+0; + v = 0.2035888456966776e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5462112185696926e+0; + b = 0.2660430223139146e+0; + v = 0.2054516325352142e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5751425068101757e+0; + b = 0.2956193664498032e+0; + v = 0.2067831033092635e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6028073872853596e+0; + b = 0.3245763905312779e+0; + v = 0.2076485320284876e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6291338275278409e+0; + b = 0.3527670026206972e+0; + v = 0.2081141439525255e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3541797528439391e+0; + b = 0.2823853479435550e-1; + v = 0.1834383015469222e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3908234972074657e+0; + b = 0.5741296374713106e-1; + v = 0.1889540591777677e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4264408450107590e+0; + b = 0.8724646633650199e-1; + v = 0.1936677023597375e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4609949666553286e+0; + b = 0.1175034422915616e+0; + v = 0.1976176495066504e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4944389496536006e+0; + b = 0.1479755652628428e+0; + v = 0.2008536004560983e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5267194884346086e+0; + b = 0.1784740659484352e+0; + v = 0.2034280351712291e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5577787810220990e+0; + b = 0.2088245700431244e+0; + v = 0.2053944466027758e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5875563763536670e+0; + b = 0.2388628136570763e+0; + v = 0.2068077642882360e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6159910016391269e+0; + b = 0.2684308928769185e+0; + v = 0.2077250949661599e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6430219602956268e+0; + b = 0.2973740761960252e+0; + v = 0.2082062440705320e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4300647036213646e+0; + b = 0.2916399920493977e-1; + v = 0.1934374486546626e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4661486308935531e+0; + b = 0.5898803024755659e-1; + v = 0.1974107010484300e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5009658555287261e+0; + b = 0.8924162698525409e-1; + v = 0.2007129290388658e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5344824270447704e+0; + b = 0.1197185199637321e+0; + v = 0.2033736947471293e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5666575997416371e+0; + b = 0.1502300756161382e+0; + v = 0.2054287125902493e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5974457471404752e+0; + b = 0.1806004191913564e+0; + v = 0.2069184936818894e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6267984444116886e+0; + b = 0.2106621764786252e+0; + v = 0.2078883689808782e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6546664713575417e+0; + b = 0.2402526932671914e+0; + v = 0.2083886366116359e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5042711004437253e+0; + b = 0.2982529203607657e-1; + v = 0.2006593275470817e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5392127456774380e+0; + b = 0.6008728062339922e-1; + v = 0.2033728426135397e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5726819437668618e+0; + b = 0.9058227674571398e-1; + v = 0.2055008781377608e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6046469254207278e+0; + b = 0.1211219235803400e+0; + v = 0.2070651783518502e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6350716157434952e+0; + b = 0.1515286404791580e+0; + v = 0.2080953335094320e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6639177679185454e+0; + b = 0.1816314681255552e+0; + v = 0.2086284998988521e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5757276040972253e+0; + b = 0.3026991752575440e-1; + v = 0.2055549387644668e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6090265823139755e+0; + b = 0.6078402297870770e-1; + v = 0.2071871850267654e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6406735344387661e+0; + b = 0.9135459984176636e-1; + v = 0.2082856600431965e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6706397927793709e+0; + b = 0.1218024155966590e+0; + v = 0.2088705858819358e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6435019674426665e+0; + b = 0.3052608357660639e-1; + v = 0.2083995867536322e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6747218676375681e+0; + b = 0.6112185773983089e-1; + v = 0.2090509712889637e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + return grids; +} + + +std::vector> MakeAngularGrid_5810() { + std::vector> grids; + double a = 0, b = 0, v = 0.9735347946175486e-5; + auto g = SphGenOh(0, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.1907581241803167e-3; + g = SphGenOh(1, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + v = 0.1901059546737578e-3; + g = SphGenOh(2, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + a = 0.1182361662400277e-1; + v = 0.3926424538919212e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3062145009138958e-1; + v = 0.6667905467294382e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5329794036834243e-1; + v = 0.8868891315019135e-4; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7848165532862220e-1; + v = 0.1066306000958872e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1054038157636201e+0; + v = 0.1214506743336128e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1335577797766211e+0; + v = 0.1338054681640871e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1625769955502252e+0; + v = 0.1441677023628504e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1921787193412792e+0; + v = 0.1528880200826557e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2221340534690548e+0; + v = 0.1602330623773609e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2522504912791132e+0; + v = 0.1664102653445244e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2823610860679697e+0; + v = 0.1715845854011323e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3123173966267560e+0; + v = 0.1758901000133069e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3419847036953789e+0; + v = 0.1794382485256736e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3712386456999758e+0; + v = 0.1823238106757407e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3999627649876828e+0; + v = 0.1846293252959976e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4280466458648093e+0; + v = 0.1864284079323098e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4553844360185711e+0; + v = 0.1877882694626914e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4818736094437834e+0; + v = 0.1887716321852025e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5074138709260629e+0; + v = 0.1894381638175673e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5319061304570707e+0; + v = 0.1898454899533629e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5552514978677286e+0; + v = 0.1900497929577815e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5981009025246183e+0; + v = 0.1900671501924092e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6173990192228116e+0; + v = 0.1899837555533510e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6351365239411131e+0; + v = 0.1899014113156229e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6512010228227200e+0; + v = 0.1898581257705106e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6654758363948120e+0; + v = 0.1898804756095753e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6778410414853370e+0; + v = 0.1899793610426402e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6881760887484110e+0; + v = 0.1901464554844117e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6963645267094598e+0; + v = 0.1903533246259542e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7023010617153579e+0; + v = 0.1905556158463228e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.7059004636628753e+0; + v = 0.1907037155663528e-3; + g = SphGenOh(3, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3552470312472575e-1; + v = 0.5992997844249967e-4; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.9151176620841283e-1; + v = 0.9749059382456978e-4; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1566197930068980e+0; + v = 0.1241680804599158e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2265467599271907e+0; + v = 0.1437626154299360e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2988242318581361e+0; + v = 0.1584200054793902e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3717482419703886e+0; + v = 0.1694436550982744e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4440094491758889e+0; + v = 0.1776617014018108e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5145337096756642e+0; + v = 0.1836132434440077e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5824053672860230e+0; + v = 0.1876494727075983e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6468283961043370e+0; + v = 0.1899906535336482e-3; + g = SphGenOh(4, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6095964259104373e-1; + b = 0.1787828275342931e-1; + v = 0.8143252820767350e-4; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.8811962270959388e-1; + b = 0.3953888740792096e-1; + v = 0.9998859890887728e-4; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1165936722428831e+0; + b = 0.6378121797722990e-1; + v = 0.1156199403068359e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1460232857031785e+0; + b = 0.8985890813745037e-1; + v = 0.1287632092635513e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1761197110181755e+0; + b = 0.1172606510576162e+0; + v = 0.1398378643365139e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2066471190463718e+0; + b = 0.1456102876970995e+0; + v = 0.1491876468417391e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2374076026328152e+0; + b = 0.1746153823011775e+0; + v = 0.1570855679175456e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2682305474337051e+0; + b = 0.2040383070295584e+0; + v = 0.1637483948103775e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2989653312142369e+0; + b = 0.2336788634003698e+0; + v = 0.1693500566632843e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3294762752772209e+0; + b = 0.2633632752654219e+0; + v = 0.1740322769393633e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3596390887276086e+0; + b = 0.2929369098051601e+0; + v = 0.1779126637278296e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3893383046398812e+0; + b = 0.3222592785275512e+0; + v = 0.1810908108835412e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4184653789358347e+0; + b = 0.3512004791195743e+0; + v = 0.1836529132600190e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4469172319076166e+0; + b = 0.3796385677684537e+0; + v = 0.1856752841777379e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4745950813276976e+0; + b = 0.4074575378263879e+0; + v = 0.1872270566606832e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5014034601410262e+0; + b = 0.4345456906027828e+0; + v = 0.1883722645591307e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5272493404551239e+0; + b = 0.4607942515205134e+0; + v = 0.1891714324525297e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5520413051846366e+0; + b = 0.4860961284181720e+0; + v = 0.1896827480450146e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5756887237503077e+0; + b = 0.5103447395342790e+0; + v = 0.1899628417059528e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1225039430588352e+0; + b = 0.2136455922655793e-1; + v = 0.1123301829001669e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1539113217321372e+0; + b = 0.4520926166137188e-1; + v = 0.1253698826711277e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1856213098637712e+0; + b = 0.7086468177864818e-1; + v = 0.1366266117678531e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2174998728035131e+0; + b = 0.9785239488772918e-1; + v = 0.1462736856106918e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2494128336938330e+0; + b = 0.1258106396267210e+0; + v = 0.1545076466685412e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2812321562143480e+0; + b = 0.1544529125047001e+0; + v = 0.1615096280814007e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3128372276456111e+0; + b = 0.1835433512202753e+0; + v = 0.1674366639741759e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3441145160177973e+0; + b = 0.2128813258619585e+0; + v = 0.1724225002437900e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3749567714853510e+0; + b = 0.2422913734880829e+0; + v = 0.1765810822987288e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4052621732015610e+0; + b = 0.2716163748391453e+0; + v = 0.1800104126010751e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4349335453522385e+0; + b = 0.3007127671240280e+0; + v = 0.1827960437331284e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4638776641524965e+0; + b = 0.3294470677216479e+0; + v = 0.1850140300716308e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4920046410462687e+0; + b = 0.3576932543699155e+0; + v = 0.1867333507394938e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5192273554861704e+0; + b = 0.3853307059757764e+0; + v = 0.1880178688638289e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5454609081136522e+0; + b = 0.4122425044452694e+0; + v = 0.1889278925654758e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5706220661424140e+0; + b = 0.4383139587781027e+0; + v = 0.1895213832507346e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5946286755181518e+0; + b = 0.4634312536300553e+0; + v = 0.1898548277397420e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.1905370790924295e+0; + b = 0.2371311537781979e-1; + v = 0.1349105935937341e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2242518717748009e+0; + b = 0.4917878059254806e-1; + v = 0.1444060068369326e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2577190808025936e+0; + b = 0.7595498960495142e-1; + v = 0.1526797390930008e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2908724534927187e+0; + b = 0.1036991083191100e+0; + v = 0.1598208771406474e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3236354020056219e+0; + b = 0.1321348584450234e+0; + v = 0.1659354368615331e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3559267359304543e+0; + b = 0.1610316571314789e+0; + v = 0.1711279910946440e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3876637123676956e+0; + b = 0.1901912080395707e+0; + v = 0.1754952725601440e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4187636705218842e+0; + b = 0.2194384950137950e+0; + v = 0.1791247850802529e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4491449019883107e+0; + b = 0.2486155334763858e+0; + v = 0.1820954300877716e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4787270932425445e+0; + b = 0.2775768931812335e+0; + v = 0.1844788524548449e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5074315153055574e+0; + b = 0.3061863786591120e+0; + v = 0.1863409481706220e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5351810507738336e+0; + b = 0.3343144718152556e+0; + v = 0.1877433008795068e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5619001025975381e+0; + b = 0.3618362729028427e+0; + v = 0.1887444543705232e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5875144035268046e+0; + b = 0.3886297583620408e+0; + v = 0.1894009829375006e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6119507308734495e+0; + b = 0.4145742277792031e+0; + v = 0.1897683345035198e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2619733870119463e+0; + b = 0.2540047186389353e-1; + v = 0.1517327037467653e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.2968149743237949e+0; + b = 0.5208107018543989e-1; + v = 0.1587740557483543e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3310451504860488e+0; + b = 0.7971828470885599e-1; + v = 0.1649093382274097e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3646215567376676e+0; + b = 0.1080465999177927e+0; + v = 0.1701915216193265e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3974916785279360e+0; + b = 0.1368413849366629e+0; + v = 0.1746847753144065e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4295967403772029e+0; + b = 0.1659073184763559e+0; + v = 0.1784555512007570e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4608742854473447e+0; + b = 0.1950703730454614e+0; + v = 0.1815687562112174e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4912598858949903e+0; + b = 0.2241721144376724e+0; + v = 0.1840864370663302e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5206882758945558e+0; + b = 0.2530655255406489e+0; + v = 0.1860676785390006e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5490940914019819e+0; + b = 0.2816118409731066e+0; + v = 0.1875690583743703e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5764123302025542e+0; + b = 0.3096780504593238e+0; + v = 0.1886453236347225e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6025786004213506e+0; + b = 0.3371348366394987e+0; + v = 0.1893501123329645e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6275291964794956e+0; + b = 0.3638547827694396e+0; + v = 0.1897366184519868e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3348189479861771e+0; + b = 0.2664841935537443e-1; + v = 0.1643908815152736e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.3699515545855295e+0; + b = 0.5424000066843495e-1; + v = 0.1696300350907768e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4042003071474669e+0; + b = 0.8251992715430854e-1; + v = 0.1741553103844483e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4375320100182624e+0; + b = 0.1112695182483710e+0; + v = 0.1780015282386092e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4699054490335947e+0; + b = 0.1402964116467816e+0; + v = 0.1812116787077125e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5012739879431952e+0; + b = 0.1694275117584291e+0; + v = 0.1838323158085421e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5315874883754966e+0; + b = 0.1985038235312689e+0; + v = 0.1859113119837737e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5607937109622117e+0; + b = 0.2273765660020893e+0; + v = 0.1874969220221698e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5888393223495521e+0; + b = 0.2559041492849764e+0; + v = 0.1886375612681076e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6156705979160163e+0; + b = 0.2839497251976899e+0; + v = 0.1893819575809276e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6412338809078123e+0; + b = 0.3113791060500690e+0; + v = 0.1897794748256767e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4076051259257167e+0; + b = 0.2757792290858463e-1; + v = 0.1738963926584846e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4423788125791520e+0; + b = 0.5584136834984293e-1; + v = 0.1777442359873466e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4760480917328258e+0; + b = 0.8457772087727143e-1; + v = 0.1810010815068719e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5085838725946297e+0; + b = 0.1135975846359248e+0; + v = 0.1836920318248129e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5399513637391218e+0; + b = 0.1427286904765053e+0; + v = 0.1858489473214328e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5701118433636380e+0; + b = 0.1718112740057635e+0; + v = 0.1875079342496592e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5990240530606021e+0; + b = 0.2006944855985351e+0; + v = 0.1887080239102310e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6266452685139695e+0; + b = 0.2292335090598907e+0; + v = 0.1894905752176822e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6529320971415942e+0; + b = 0.2572871512353714e+0; + v = 0.1898991061200695e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.4791583834610126e+0; + b = 0.2826094197735932e-1; + v = 0.1809065016458791e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5130373952796940e+0; + b = 0.5699871359683649e-1; + v = 0.1836297121596799e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5456252429628476e+0; + b = 0.8602712528554394e-1; + v = 0.1858426916241869e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5768956329682385e+0; + b = 0.1151748137221281e+0; + v = 0.1875654101134641e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6068186944699046e+0; + b = 0.1442811654136362e+0; + v = 0.1888240751833503e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6353622248024907e+0; + b = 0.1731930321657680e+0; + v = 0.1896497383866979e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6624927035731797e+0; + b = 0.2017619958756061e+0; + v = 0.1900775530219121e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5484933508028488e+0; + b = 0.2874219755907391e-1; + v = 0.1858525041478814e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.5810207682142106e+0; + b = 0.5778312123713695e-1; + v = 0.1876248690077947e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6120955197181352e+0; + b = 0.8695262371439526e-1; + v = 0.1889404439064607e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6416944284294319e+0; + b = 0.1160893767057166e+0; + v = 0.1898168539265290e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6697926391731260e+0; + b = 0.1450378826743251e+0; + v = 0.1902779940661772e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6147594390585488e+0; + b = 0.2904957622341456e-1; + v = 0.1890125641731815e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6455390026356783e+0; + b = 0.5823809152617197e-1; + v = 0.1899434637795751e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6747258588365477e+0; + b = 0.8740384899884715e-1; + v = 0.1904520856831751e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + a = 0.6772135750395347e+0; + b = 0.2919946135808105e-1; + v = 0.1905534498734563e-3; + g = SphGenOh(5, a, b, v); // SphGenOh 返回 vector + grids.insert(grids.end(), g.begin(), g.end()); + + return grids; +} + + + + +std::vector> MakeAngularGrid(int grid_level) { + switch (grid_level) { + case 6: + return MakeAngularGrid_6(); + case 14: + return MakeAngularGrid_14(); + case 26: + return MakeAngularGrid_26(); + case 38: + return MakeAngularGrid_38(); + case 50: + return MakeAngularGrid_50(); + case 74: + return MakeAngularGrid_74(); + case 86: + return MakeAngularGrid_86(); + case 110: + return MakeAngularGrid_110(); + case 146: + return MakeAngularGrid_146(); + case 170: + return MakeAngularGrid_170(); + case 194: + return MakeAngularGrid_194(); + case 230: + return MakeAngularGrid_230(); + case 266: + return MakeAngularGrid_266(); + case 302: + return MakeAngularGrid_302(); + case 350: + return MakeAngularGrid_350(); + case 434: + return MakeAngularGrid_434(); + case 590: + return MakeAngularGrid_590(); + case 770: + return MakeAngularGrid_770(); + case 974: + return MakeAngularGrid_974(); + case 1202: + return MakeAngularGrid_1202(); + case 1454: + return MakeAngularGrid_1454(); + case 1730: + return MakeAngularGrid_1730(); + case 2030: + return MakeAngularGrid_2030(); + case 2354: + return MakeAngularGrid_2354(); + case 2702: + return MakeAngularGrid_2702(); + case 3074: + return MakeAngularGrid_3074(); + case 3470: + return MakeAngularGrid_3470(); + case 3890: + return MakeAngularGrid_3890(); + case 4334: + return MakeAngularGrid_4334(); + case 4802: + return MakeAngularGrid_4802(); + case 5294: + return MakeAngularGrid_5294(); + case 5810: + return MakeAngularGrid_5810(); + default: + std::cerr << "Invalid grid level!" << std::endl; + return {}; + } +} + +// Function to convert Cartesian coordinates to spherical coordinates +std::vector> ConvertToSpherical(const std::vector>& grids) { + std::vector> spherical_coords; + for (const auto& grid : grids) { + double x = grid[0]; + double y = grid[1]; + double z = grid[2]; + double r = std::sqrt(x * x + y * y + z * z); + double theta = std::acos(z / r); // theta is the polar angle， range [0, pi] + double phi = std::atan2(y, x); // phi is the azimuthal angle， range [0, 2pi] + spherical_coords.push_back({theta, phi, grid[3]}); // Keep the weight as is + } + return spherical_coords; +} +/* +// independent test for this file +int main() { + // 设置输出格式 + std::cout << std::fixed; // 固定小数点输出 + std::cout << std::setprecision(7); // 小数点后保留3位 + std::cout << std::setw(12); // 总宽度为10，包括小数点 + std::cout << "\n"; + std::vector nums = {6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810}; // available grid levels + + + int grid_level = nums[0]; // Set the grid level， count from 0th + std::vector> grids = MakeAngularGrid(grid_level); + + auto spherical_coords = ConvertToSpherical(grids); + + for (const auto& coord : spherical_coords) { + std::cout << "Theta: " << coord[0] << ", Phi: " << coord[1] << ", Weight: " << coord[2] << std::endl; + } + + int index = 0; + for (const auto& grid : grids) { + if (index++ < 20) + { + std::cout << "[" << grid[0] << ", " << grid[1] << ", " << grid[2] << ", " << grid[3] << "]" << std::endl; + } + } + std::cout << "### point = " << grid_level << ", ####################################\n" << std::endl; + + int count = 0; + for (const auto & grid_level : nums) + { + std::vector> grids = MakeAngularGrid(grid_level); + + double total_sum = 0.0; // 初始化总和为0.0 + + // 遍历每个子数组 + for (const auto& grid : grids) { + // 遍历子数组中的每个元素 + for (const auto& value : grid) { + total_sum += value; // 累加每个元素 + } + } + + // 输出总和 + std::cout << "num "<< ++count << ", point = " << grid_level << " Total sum: " << total_sum << std::endl; + + + } + + + return 0; +} +*/ \ No newline at end of file diff --git a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp new file mode 100755 index 0000000000..36f0450312 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp @@ -0,0 +1,311 @@ +// Programmed by Xiaoyu Zhang at Peking University, Beijing, China 2024/08/26 +// Ref: PHYSICAL REVIEW RESEARCH 5, 013036 (2023) +// This file implements multi-collinear approach for LDA,GGA,MGGA and locally collinear approach for LDA. Up to the first derivative. +// how to compile as an independent program: +/* + module load libxc/5.2.3-icc17 + module load gcc/7.3.0-wzm + g++ -std=c++17 -o my_program NCLibxc.cpp LebedevGrid.cpp interface_to_libxc.cpp -I/public1/soft/libxc/install/include -L/public1/soft/libxc/install/lib -lxc +*/ +#include "NCLibxc.h" +#include "interface_to_libxc.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include + +std::vector> MakeAngularGrid(int grid_level); + +/////////////////////////////////////////////////////////////////////////////////// +//Matrix + + +// 初始化 Pauli 矩阵 +const Matrix2x2 NCLibxc::sigma_x = {{{std::complex(0.0, 0.0), std::complex(1.0, 0.0)}, + {std::complex(1.0, 0.0), std::complex(0.0, 0.0)}}}; + +const Matrix2x2 NCLibxc::sigma_y = {{{std::complex(0.0, 0.0), std::complex(0.0, -1.0)}, + {std::complex(0.0, 1.0), std::complex(0.0, 0.0)}}}; + +const Matrix2x2 NCLibxc::sigma_z = {{{std::complex(1.0, 0.0), std::complex(0.0, 0.0)}, + {std::complex(0.0, 0.0), std::complex(-1.0, 0.0)}}}; + +// 矩阵加法 +Matrix2x2 NCLibxc::add(const Matrix2x2 &a, const Matrix2x2 &b) +{ + Matrix2x2 result; + for (int i = 0; i < 2; ++i) + { + for (int j = 0; j < 2; ++j) + { + result[i][j] = a[i][j] + b[i][j]; + } + } + return result; +} + +// 矩阵数乘 +Matrix2x2 NCLibxc::scalar_multiply(const std::complex &scalar, const Matrix2x2 &matrix) +{ + Matrix2x2 result; + for (int i = 0; i < 2; ++i) + { + for (int j = 0; j < 2; ++j) + { + result[i][j] = scalar * matrix[i][j]; + } + } + return result; +} + + +// 根据直角坐标构建 Pauli 自旋矩阵 +Matrix2x2 NCLibxc::construct_pauli_matrix(double x, double y, double z) +{ + Matrix2x2 pauli_matrix = add(add(scalar_multiply(x, sigma_x), scalar_multiply(y, sigma_y)), scalar_multiply(z, sigma_z)); + return pauli_matrix; +} + +// identity matrix +Matrix2x2 NCLibxc::identity_matrix() +{ + Matrix2x2 result; + result[0][0] = 1.0; + result[0][1] = 0.0; + result[1][0] = 0.0; + result[1][1] = 1.0; + return result; +} +/////////////////////////////////////////////////////////////////////////////////// + + + +/////////////////////////////////////////////////////////////////////////////////// + +// post-processing of libxc. get partial derivatives from libxc and integrate them to get the 0th,1st,2nd derivatives of the functional +//Note that e is the exchange and correlation energy per electron per volume. You need to multiply by \rho before the integration. +/* +v1=0, v2=1, f1=0,0, f2=0,1, f3=1,1 +*/ +void NCLibxc::postlibxc_lda(int xc_id, const std::vector& rho_up, const std::vector& rho_down, + std::vector& e, std::vector& v1, std::vector& v2, + std::vector& f1, std::vector& f2, std::vector& f3) +{ + LibxcInterface libxc(xc_id, true); // xc_id now passed from the caller + + std::vector exc = libxc.lda_exc(rho_up, rho_down); + std::vector vrho_1(rho_up.size()), vrho_2(rho_down.size()); + libxc.lda_vxc(rho_up, rho_down, vrho_1, vrho_2); + + std::vector v2rho2_1(rho_up.size()), v2rho2_2(rho_down.size()), v2rho2_3(rho_up.size()); + libxc.lda_fxc(rho_up, rho_down, v2rho2_1, v2rho2_2, v2rho2_3); + + + e.resize(rho_up.size()); + v1.resize(rho_up.size()); + v2.resize(rho_down.size()); + f1.resize(rho_up.size()); + f2.resize(rho_down.size()); + f3.resize(rho_up.size()); + + for (size_t i = 0; i < rho_up.size(); ++i) { + e[i] = exc[i] ; + v1[i] = vrho_1[i] ; + v2[i] = vrho_2[i] ; + f1[i] = v2rho2_1[i] ; + f2[i] = v2rho2_2[i] ; + f3[i] = v2rho2_3[i] ; + } +} + +/////////////////////////////////////////////////////////////////////////////////// + +// lda_mc函数，输入是xc_id, n, mx, my, mz，返回每个实空间格点的E和V +std::pair, std::vector> NCLibxc::lda_mc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz) +{ + std::vector nums = {6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810}; // available grid levels + + int grid_level = nums[20];// set number of grid points. more than 1202 is recommended. default is 1454.20 + std::vector> grids = MakeAngularGrid(grid_level); + + size_t num_points = n.size(); + std::vector E(num_points, 0.0); + std::vector V(num_points, {{{0.0, 0.0}, {0.0, 0.0}}}); + std::vector m_omega(num_points, 0.0); + + for (const auto &coord : grids) + { + double x = coord[0]; + double y = coord[1]; + double z = coord[2]; + double w = coord[3]; + + std::vector rho_up(num_points, 0.0); + std::vector rho_down(num_points, 0.0); + + for (size_t i = 0; i < num_points; ++i) + { + m_omega[i] = mx[i] * x + my[i] * y + mz[i] * z; + rho_up[i] = (n[i] + m_omega[i]) / 2.0; + rho_down[i] = (n[i] - m_omega[i]) / 2.0; + } + + std::vector e(num_points, 0.0), v1(num_points, 0.0), v2(num_points, 0.0), f1(num_points, 0.0), f2(num_points, 0.0), f3(num_points, 0.0); + postlibxc_lda(xc_id, rho_up, rho_down, e, v1, v2, f1, f2, f3); + + std::vector Eeff(num_points, 0.0); + std::vector Veff(num_points, {{{0.0, 0.0}, {0.0, 0.0}}}); + + for (size_t i = 0; i < num_points; ++i) + { + Eeff[i] = e[i] + 0.5 * (m_omega[i] / n[i]) * (v1[i] - v2[i]); + + Matrix2x2 pauli_matrix = construct_pauli_matrix(x, y, z); + Matrix2x2 term1 = scalar_multiply(((v1[i] - v2[i]) + 0.25 * m_omega[i] * (f1[i] + f3[i] - 2 * f2[i])), pauli_matrix); + Matrix2x2 term2 = scalar_multiply((0.5 * (v1[i] + v2[i]) + 0.25 * m_omega[i] * (f1[i] - f3[i])), identity_matrix()); + Veff[i] = add(term1, term2); + + // 将 Eeff 和 Veff 加到 E 和 V 上，乘权重 + E[i] += Eeff[i]*w; + V[i] = add(V[i], scalar_multiply(w, Veff[i])); + } + } + + return {E, V}; +} + +// lda_lc函数，输入是xc_id, n, mx, my, mz，返回每个实空间格点的E和V +std::pair, std::vector> NCLibxc::lda_lc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz) +{ + size_t num_points = n.size(); + std::vector E(num_points, 0.0); + std::vector V(num_points, {{{0.0, 0.0}, {0.0, 0.0}}}); + std::vector m_mod(num_points, 0.0); + + // 计算m_mod，这是m的模长 + for (size_t i = 0; i < num_points; ++i) + { + m_mod[i] = std::sqrt(mx[i] * mx[i] + my[i] * my[i] + mz[i] * mz[i]); + } + + // 计算rho_up和rho_down + std::vector rho_up(num_points, 0.0); + std::vector rho_down(num_points, 0.0); + + for (size_t i = 0; i < num_points; ++i) + { + rho_up[i] = (n[i] + m_mod[i]) / 2.0; + rho_down[i] = (n[i] - m_mod[i]) / 2.0; + } + + // 调用postlibxc_lda函数 + std::vector e(num_points, 0.0), v1(num_points, 0.0), v2(num_points, 0.0), f1(num_points, 0.0), f2(num_points, 0.0), f3(num_points, 0.0); + postlibxc_lda(xc_id, rho_up, rho_down, e, v1, v2, f1, f2, f3); + + // 计算E和V + for (size_t i = 0; i < num_points; ++i) + { + E[i] = e[i]; + + // 计算 x, y, z + double x = mx[i] / m_mod[i]; + double y = my[i] / m_mod[i]; + double z = mz[i] / m_mod[i]; + + // 构建 Pauli 矩阵 + Matrix2x2 pauli_matrix = construct_pauli_matrix(x, y, z); + Matrix2x2 term1 = scalar_multiply(0.5 * (v1[i] - v2[i]), pauli_matrix); + Matrix2x2 term2 = scalar_multiply(0.5 * (v1[i] + v2[i]), identity_matrix()); + V[i] = add(term1, term2); + } + + return {E, V}; +} + +/////////////////////////////////////////////////////////////////////////////////// +// print message and citation of the program +// Function to print message and citation +void NCLibxc::print_NCLibxc() +{ + std::ofstream log_file("NCLibxc.log", std::ios::out | std::ios::app); + if (log_file.is_open()) + { + log_file << "You are using the multi-collinear approach implemented by Xiaoyu Zhang. Please cite:\n"; + log_file.close(); + } + else + { + std::cerr << "Unable to open log file." << std::endl; + } +} + +/* +int main() +{ + try + { + // 示例输入数据 + std::vector n = {1.0, 1.0, 1.0}; + std::vector mx = {0.1, 0.1, 0.0}; + std::vector my = {0.0, 0.1, 0.1414}; + std::vector mz = {0.1, 0.0, 0.0}; + int xc_id = 1; // 例如，设置xc_id为1 + + auto [E_MC, V_MC] = lda_mc(xc_id, n, mx, my, mz); + + std::cout << "Total E for each real-space grid point:" << std::endl; + for (const auto &e : E_MC) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "Total V for each real-space grid point:" << std::endl; + for (const auto &matrix : V_MC) + { + for (const auto &row : matrix) + { + for (const auto &elem : row) + { + std::cout << elem << " "; + } + std::cout << std::endl; + } + std::cout << std::endl; + } + + auto [E_LC, V_LC] = lda_lc(xc_id, n, mx, my, mz); + + std::cout << "Total E for each real-space grid point:" << std::endl; + for (const auto &e : E_LC) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "Total V for each real-space grid point:" << std::endl; + for (const auto &matrix : V_LC) + { + for (const auto &row : matrix) + { + for (const auto &elem : row) + { + std::cout << elem << " "; + } + std::cout << std::endl; + } + std::cout << std::endl; + } + } + catch (const std::exception& ex) + { + std::cerr << "Error: " << ex.what() << std::endl; + } + + return 0; +} +*/ + diff --git a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h new file mode 100755 index 0000000000..0a62650236 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h @@ -0,0 +1,54 @@ +#ifndef NCLIBXC_H +#define NCLIBXC_H + +#include +#include +#include +#include + +// 定义 2x2 复数矩阵类型 +using Matrix2x2 = std::array, 2>, 2>; + +class NCLibxc { +public: + // 初始化 Pauli 矩阵 + static const Matrix2x2 sigma_x; + static const Matrix2x2 sigma_y; + static const Matrix2x2 sigma_z; + + // 矩阵加法 + static Matrix2x2 add(const Matrix2x2 &a, const Matrix2x2 &b); + + // 矩阵数乘 + static Matrix2x2 scalar_multiply(const std::complex &scalar, const Matrix2x2 &matrix); + + + + + // 根据直角坐标构建 Pauli 自旋矩阵 + static Matrix2x2 construct_pauli_matrix(double x, double y, double z); + + // identity matrix + static Matrix2x2 identity_matrix(); + + // post-processing of libxc. get partial derivatives from libxc and integrate them to get the 0th,1st,2nd derivatives of the functional + static void postlibxc_lda(int xc_id, const std::vector& rho_up, const std::vector& rho_down, + std::vector& e, std::vector& v1, std::vector& v2, + std::vector& f1, std::vector& f2, std::vector& f3); + + // lda_mc函数，输入是xc_id, n, mx, my, mz，返回每个实空间格点的E和V + static std::pair, std::vector> lda_mc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz); + + // lda_lc函数，输入是xc_id, n, mx, my, mz，返回每个实空间格点的E和V + static std::pair, std::vector> lda_lc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz); + // print message and citation of the program + static void print_NCLibxc(); +}; + +// 声明 MakeAngularGrid 函数 +std::vector> MakeAngularGrid(int grid_level); + + +#endif // NCLIBXC_H \ No newline at end of file diff --git a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp new file mode 100755 index 0000000000..51c6f93d96 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp @@ -0,0 +1,1049 @@ + +// This program is used to interface with libxc which is a library for exchange-correlation functionals in density functional theory. + +// How to compile as an independent program: +// module load libxc/5.2.3-icc17 +// g++ -std=c++11 -o my_program interface_to_libxc.cpp -I/public1/soft/libxc/install/include -L/public1/soft/libxc/install/lib -lxc +// ./my_program + +// func_id can be found in the libxc website https://libxc.gitlab.io/functionals/ +#include "interface_to_libxc.h" +#include + +LibxcInterface::LibxcInterface(int xc_id, bool spin_polarized) +{ + int spin_option = spin_polarized ? XC_POLARIZED : XC_UNPOLARIZED; + if (xc_func_init(&func, xc_id, spin_option) != 0) + { + std::cerr << "Failed to initialize functional." << std::endl; + throw std::runtime_error("Libxc initialization error"); + } +} + +LibxcInterface::~LibxcInterface() +{ + xc_func_end(&func); +} + + ///////////////////////////////////////////////////////////// + // LDA START, up to the fourth derivative + // LDA Energy Density for spin-polarized systems + std::vector LibxcInterface::lda_exc(const std::vector &rho_up, const std::vector &rho_down) + { + int np = rho_up.size(); + std::vector rho(2 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + } + std::vector exc(np); + xc_lda_exc(&func, np, rho.data(), exc.data()); + return exc; + } + + // LDA Potential for spin-polarized systems + void LibxcInterface::lda_vxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &vrho_1, std::vector &vrho_2) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector vrho(2 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + } + xc_lda_vxc(&func, np, rho.data(), vrho.data()); + for (int i = 0; i < np; ++i) + { + vrho_1[i] = vrho[2 * i]; + vrho_2[i] = vrho[2 * i + 1]; + } + } + + // LDA the second derivative for spin-polarized systems + void LibxcInterface::lda_fxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector v2rho2(3 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + } + xc_lda_fxc(&func, np, rho.data(), v2rho2.data()); + for (int i = 0; i < np; ++i) + { + v2rho2_1[i] = v2rho2[3 * i]; + v2rho2_2[i] = v2rho2[3 * i + 1]; + v2rho2_3[i] = v2rho2[3 * i + 2]; + } + } + + // LDA the third derivative for spin-polarized systems + void LibxcInterface::lda_kxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v3rho3_1, std::vector &v3rho3_2, std::vector &v3rho3_3, std::vector &v3rho3_4) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector v3rho3(4 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + } + xc_lda_kxc(&func, np, rho.data(), v3rho3.data()); + for (int i = 0; i < np; ++i) + { + v3rho3_1[i] = v3rho3[4 * i]; + v3rho3_2[i] = v3rho3[4 * i + 1]; + v3rho3_3[i] = v3rho3[4 * i + 2]; + v3rho3_4[i] = v3rho3[4 * i + 3]; + } + } + + // LDA the fourth derivative for spin-polarized systems + void LibxcInterface::lda_lxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v4rho4_1, std::vector &v4rho4_2, std::vector &v4rho4_3, std::vector &v4rho4_4, std::vector &v4rho4_5) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector v4rho4(5 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + } + xc_lda_lxc(&func, np, rho.data(), v4rho4.data()); + for (int i = 0; i < np; ++i) + { + v4rho4_1[i] = v4rho4[5 * i]; + v4rho4_2[i] = v4rho4[5 * i + 1]; + v4rho4_3[i] = v4rho4[5 * i + 2]; + v4rho4_4[i] = v4rho4[5 * i + 3]; + v4rho4_5[i] = v4rho4[5 * i + 4]; + } + } + //################## LDA END ############################################### + + + ///////////////////////////////////////////////////////////// + //GGA START, up to the second derivative + // GGA Energy Density for spin-polarized systems + std::vector LibxcInterface::gga_exc(const std::vector &rho_up, const std::vector &rho_down, const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + } + std::vector exc(np); + xc_gga_exc(&func, np, rho.data(), sigma.data(), exc.data()); + return exc; + } + + // GGA Potential for spin-polarized systems + void LibxcInterface::gga_vxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, std::vector &vrho_1, std::vector &vrho_2, + std::vector &vsigma_1, std::vector &vsigma_2, std::vector &vsigma_3) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + std::vector vrho(2 * np); + std::vector vsigma(3 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + } + xc_gga_vxc(&func, np, rho.data(), sigma.data(), vrho.data(), vsigma.data()); + for (int i = 0; i < np; ++i) + { + vrho_1[i] = vrho[2 * i]; + vrho_2[i] = vrho[2 * i + 1]; + vsigma_1[i] = vsigma[3 * i]; + vsigma_2[i] = vsigma[3 * i + 1]; + vsigma_3[i] = vsigma[3 * i + 2]; + } + } + + // GGA the second derivative for spin-polarized systems + void LibxcInterface::gga_fxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3, + std::vector &v2rhosigma_1, std::vector &v2rhosigma_2, std::vector &v2rhosigma_3, std::vector &v2rhosigma_4, std::vector &v2rhosigma_5, std::vector &v2rhosigma_6, std::vector &v2sigma2_1, std::vector &v2sigma2_2, std::vector &v2sigma2_3, std::vector &v2sigma2_4, std::vector &v2sigma2_5, std::vector &v2sigma2_6) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + std::vector v2rho2(3 * np); + std::vector v2rhosigma(6 * np); + std::vector v2sigma2(6 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + } + xc_gga_fxc(&func, np, rho.data(), sigma.data(), v2rho2.data(), v2rhosigma.data(), v2sigma2.data()); + for (int i = 0; i < np; ++i) + { + v2rho2_1[i] = v2rho2[3 * i]; + v2rho2_2[i] = v2rho2[3 * i + 1]; + v2rho2_3[i] = v2rho2[3 * i + 2]; + v2rhosigma_1[i] = v2rhosigma[6 * i]; + v2rhosigma_2[i] = v2rhosigma[6 * i + 1]; + v2rhosigma_3[i] = v2rhosigma[6 * i + 2]; + v2rhosigma_4[i] = v2rhosigma[6 * i + 3]; + v2rhosigma_5[i] = v2rhosigma[6 * i + 4]; + v2rhosigma_6[i] = v2rhosigma[6 * i + 5]; + v2sigma2_1[i] = v2sigma2[6 * i]; + v2sigma2_2[i] = v2sigma2[6 * i + 1]; + v2sigma2_3[i] = v2sigma2[6 * i + 2]; + v2sigma2_4[i] = v2sigma2[6 * i + 3]; + v2sigma2_5[i] = v2sigma2[6 * i + 4]; + v2sigma2_6[i] = v2sigma2[6 * i + 5]; + } + } + // GGA END + ///////////////////////////////////////////////////////////// + + // meta-GGA START, up to the second derivative + // meta-GGA Energy Density for spin-polarized systems + std::vector LibxcInterface::mgga_exc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, + const std::vector &sigma_3, const std::vector &lapl_up, + const std::vector &lapl_down, const std::vector &tau_up, + const std::vector &tau_down) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + std::vector lapl(2 * np); + std::vector tau(2 * np); + + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + lapl[2 * i] = lapl_up[i]; + lapl[2 * i + 1] = lapl_down[i]; + tau[2 * i] = tau_up[i]; + tau[2 * i + 1] = tau_down[i]; + } + + std::vector exc(np); + xc_mgga_exc(&func, np, rho.data(), sigma.data(), lapl.data(), tau.data(), exc.data()); + + return exc; + } + // meta-GGA potential for spin-polarized systems + // MGGA Potential for spin-polarized systems + void LibxcInterface::mgga_vxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + const std::vector &lapl_up, const std::vector &lapl_down, + const std::vector &tau_up, const std::vector &tau_down, + std::vector &vrho_1, std::vector &vrho_2, + std::vector &vsigma_1, std::vector &vsigma_2, std::vector &vsigma_3, + std::vector &vlapl_1, std::vector &vlapl_2, + std::vector &vtau_1, std::vector &vtau_2) +{ + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + std::vector lapl(2 * np); + std::vector tau(2 * np); + std::vector vrho(2 * np); + std::vector vsigma(3 * np); + std::vector vlapl(2 * np); + std::vector vtau(2 * np); + + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + lapl[2 * i] = lapl_up[i]; + lapl[2 * i + 1] = lapl_down[i]; + tau[2 * i] = tau_up[i]; + tau[2 * i + 1] = tau_down[i]; + } + + xc_mgga_vxc(&func, np, rho.data(), sigma.data(), lapl.data(), tau.data(), vrho.data(), vsigma.data(), vlapl.data(), vtau.data()); + + for (int i = 0; i < np; ++i) + { + vrho_1[i] = vrho[2 * i]; + vrho_2[i] = vrho[2 * i + 1]; + vsigma_1[i] = vsigma[3 * i]; + vsigma_2[i] = vsigma[3 * i + 1]; + vsigma_3[i] = vsigma[3 * i + 2]; + vlapl_1[i] = vlapl[2 * i]; + vlapl_2[i] = vlapl[2 * i + 1]; + vtau_1[i] = vtau[2 * i]; + vtau_2[i] = vtau[2 * i + 1]; + } +} + // MGGA the second derivative for spin-polarized systems + void LibxcInterface::mgga_fxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + const std::vector &lapl_up, const std::vector &lapl_down, + const std::vector &tau_up, const std::vector &tau_down, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3, + std::vector &v2rhosigma_1, std::vector &v2rhosigma_2, std::vector &v2rhosigma_3, + std::vector &v2rhosigma_4, std::vector &v2rhosigma_5, std::vector &v2rhosigma_6, + std::vector &v2rholapl_1, std::vector &v2rholapl_2, std::vector &v2rholapl_3, std::vector &v2rholapl_4, + std::vector &v2rhotau_1, std::vector &v2rhotau_2, std::vector &v2rhotau_3,std::vector &v2rhotau_4, + std::vector &v2sigma2_1, std::vector &v2sigma2_2, std::vector &v2sigma2_3, + std::vector &v2sigma2_4, std::vector &v2sigma2_5, std::vector &v2sigma2_6, + std::vector &v2sigmalapl_1, std::vector &v2sigmalapl_2, std::vector &v2sigmalapl_3, + std::vector &v2sigmalapl_4, std::vector &v2sigmalapl_5, std::vector &v2sigmalapl_6, + std::vector &v2sigmatau_1, std::vector &v2sigmatau_2, std::vector &v2sigmatau_3, + std::vector &v2sigmatau_4, std::vector &v2sigmatau_5, std::vector &v2sigmatau_6, + std::vector &v2lapl2_1, std::vector &v2lapl2_2, std::vector &v2lapl2_3, + std::vector &v2lapltau_1, std::vector &v2lapltau_2, std::vector &v2lapltau_3, std::vector &v2lapltau_4, + std::vector &v2tau2_1, std::vector &v2tau2_2, std::vector &v2tau2_3) +{ + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + std::vector lapl(2 * np); + std::vector tau(2 * np); + std::vector v2rho2(3 * np); + std::vector v2rhosigma(6 * np); + std::vector v2rholapl(4 * np); + std::vector v2rhotau(4 * np); + std::vector v2sigma2(6 * np); + std::vector v2sigmalapl(6 * np); + std::vector v2sigmatau(6 * np); + std::vector v2lapl2(3 * np); + std::vector v2lapltau(4 * np); + std::vector v2tau2(3 * np); + + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + lapl[2 * i] = lapl_up[i]; + lapl[2 * i + 1] = lapl_down[i]; + tau[2 * i] = tau_up[i]; + tau[2 * i + 1] = tau_down[i]; + } + + xc_mgga_fxc(&func, np, rho.data(), sigma.data(), lapl.data(), tau.data(), v2rho2.data(), v2rhosigma.data(), v2rholapl.data(), v2rhotau.data(), v2sigma2.data(), v2sigmalapl.data(), v2sigmatau.data(), v2lapl2.data(), v2lapltau.data(), v2tau2.data()); + + for (int i = 0; i < np; ++i) + { + v2rho2_1[i] = v2rho2[3 * i]; + v2rho2_2[i] = v2rho2[3 * i + 1]; + v2rho2_3[i] = v2rho2[3 * i + 2]; + v2rhosigma_1[i] = v2rhosigma[6 * i]; + v2rhosigma_2[i] = v2rhosigma[6 * i + 1]; + v2rhosigma_3[i] = v2rhosigma[6 * i + 2]; + v2rhosigma_4[i] = v2rhosigma[6 * i + 3]; + v2rhosigma_5[i] = v2rhosigma[6 * i + 4]; + v2rhosigma_6[i] = v2rhosigma[6 * i + 5]; + v2rholapl_1[i] = v2rholapl[4 * i]; + v2rholapl_2[i] = v2rholapl[4 * i + 1]; + v2rholapl_3[i] = v2rholapl[4 * i + 2]; + v2rholapl_4[i] = v2rholapl[4 * i + 3]; + v2rhotau_1[i] = v2rhotau[4 * i]; + v2rhotau_2[i] = v2rhotau[4 * i + 1]; + v2rhotau_3[i] = v2rhotau[4 * i + 2]; + v2rhotau_4[i] = v2rhotau[4 * i + 3]; + v2sigma2_1[i] = v2sigma2[6 * i]; + v2sigma2_2[i] = v2sigma2[6 * i + 1]; + v2sigma2_3[i] = v2sigma2[6 * i + 2]; + v2sigma2_4[i] = v2sigma2[6 * i + 3]; + v2sigma2_5[i] = v2sigma2[6 * i + 4]; + v2sigma2_6[i] = v2sigma2[6 * i + 5]; + v2sigmalapl_1[i] = v2sigmalapl[6 * i]; + v2sigmalapl_2[i] = v2sigmalapl[6 * i + 1]; + v2sigmalapl_3[i] = v2sigmalapl[6 * i + 2]; + v2sigmalapl_4[i] = v2sigmalapl[6 * i + 3]; + v2sigmalapl_5[i] = v2sigmalapl[6 * i + 4]; + v2sigmalapl_6[i] = v2sigmalapl[6 * i + 5]; + v2sigmatau_1[i] = v2sigmatau[6 * i]; + v2sigmatau_2[i] = v2sigmatau[6 * i + 1]; + v2sigmatau_3[i] = v2sigmatau[6 * i + 2]; + v2sigmatau_4[i] = v2sigmatau[6 * i + 3]; + v2sigmatau_5[i] = v2sigmatau[6 * i + 4]; + v2sigmatau_6[i] = v2sigmatau[6 * i + 5]; + v2lapl2_1[i] = v2lapl2[3 * i]; + v2lapl2_2[i] = v2lapl2[3 * i + 1]; + v2lapl2_3[i] = v2lapl2[3 * i + 2]; + v2lapltau_1[i] = v2lapltau[4 * i]; + v2lapltau_2[i] = v2lapltau[4 * i + 1]; + v2lapltau_3[i] = v2lapltau[4 * i + 2]; + v2lapltau_4[i] = v2lapltau[4 * i + 3]; + v2tau2_1[i] = v2tau2[3 * i]; + v2tau2_2[i] = v2tau2[3 * i + 1]; + v2tau2_3[i] = v2tau2[3 * i + 2]; + } +} +// meta-GGA END +//######################################################### + + // Example usage for spin-polarized LDA + // The input rho_up and rho_down are the densities for spin-up and spin-down electrons, respectively. + // rhoup = (n+s)/2, rhodown = (n-s)/2 + //output: + //exc[]: the energy density per unit particle + //vrho[]: first derivative of the energy per unit volume + // v2rho2[]: second derivative of the energy per unit volume + //v3rho3[]: third derivative of the energy per unit volume + // v4rho4[]: fourth derivative of the energy per unit volume + // detailed expression can be found in https://libxc.gitlab.io/manual/libxc-5.1.x/ + //vrho [(0),(1)] + //v2rho2 [(0,0),(0,1),(1,1)] + //v3rho3 [(0,0,0),(0,0,1),(0,1,1),(1,1,1)] + //v4rho4 [(0,0,0,0),(0,0,0,1),(0,0,1,1),(0,1,1,1),(1,1,1,1)] + // 0:up 1:down (spin) + + void LibxcInterface::example_lda_spin() + { + std::vector rho_up = {0.1, 0.2, 0.3}; + std::vector rho_down = {0.2, 0.1, 0.3}; + + auto exc = lda_exc(rho_up, rho_down); + std::vector vrho_1(rho_up.size()), vrho_2(rho_down.size()); + lda_vxc(rho_up, rho_down, vrho_1, vrho_2); + + std::vector v2rho2_1(rho_up.size()), v2rho2_2(rho_down.size()), v2rho2_3(rho_up.size()); + lda_fxc(rho_up, rho_down, v2rho2_1, v2rho2_2, v2rho2_3); + + // std::vector v3rho3_1(rho_up.size()), v3rho3_2(rho_down.size()), v3rho3_3(rho_up.size()), v3rho3_4(rho_down.size()); + // lda_kxc(rho_up, rho_down, v3rho3_1, v3rho3_2, v3rho3_3, v3rho3_4); + + // std::vector v4rho4_1(rho_up.size()), v4rho4_2(rho_down.size()), v4rho4_3(rho_up.size()), v4rho4_4(rho_down.size()), v4rho4_5(rho_up.size()); + // lda_lxc(rho_up, rho_down, v4rho4_1, v4rho4_2, v4rho4_3, v4rho4_4, v4rho4_5); + + std::cout << "Exc: "; + for (auto e : exc) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "VRho_1: "; + for (auto v : vrho_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "VRho_2: "; + for (auto v : vrho_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "V2Rho2_1: "; + for (auto f : v2rho2_1) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "V2Rho2_2: "; + for (auto f : v2rho2_2) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "V2Rho2_3: "; + for (auto f : v2rho2_3) + std::cout << f << " "; + std::cout << std::endl; + + // std::cout << "V3Rho3_1: "; + // for (auto k : v3rho3_1) std::cout << k << " "; + // std::cout << std::endl; + + // std::cout << "V3Rho3_2: "; + // for (auto k : v3rho3_2) std::cout << k << " "; + // std::cout << std::endl; + + // std::cout << "V3Rho3_3: "; + // for (auto k : v3rho3_3) std::cout << k << " "; + // std::cout << std::endl; + + // std::cout << "V3Rho3_4: "; + // for (auto k : v3rho3_4) std::cout << k << " "; + // std::cout << std::endl; + + // std::cout << "V4Rho4_1: "; + // for (auto l : v4rho4_1) std::cout << l << " "; + // std::cout << std::endl; + + // std::cout << "V4Rho4_2: "; + // for (auto l : v4rho4_2) std::cout << l << " "; + // std::cout << std::endl; + + // std::cout << "V4Rho4_3: "; + // for (auto l : v4rho4_3) std::cout << l << " "; + // std::cout << std::endl; + + // std::cout << "V4Rho4_4: "; + // for (auto l : v4rho4_4) std::cout << l << " "; + // std::cout << std::endl; + + // std::cout << "V4Rho4_5: "; + // for (auto l : v4rho4_5) std::cout << l << " "; + // std::cout << std::endl; + } + + // // Example usage for spin-polarized GGA + // input: + // np: number of points + // rho[]: the density + // sigma[]: contracted gradients of the density + // output: + // exc[]: the energy per unit particle + // vrho[]: first partial derivative of the energy per unit volume in terms of the density + // vsigma[]: first partial derivative of the energy per unit volume in terms of sigma + // v2rho2[]: second partial derivative of the energy per unit volume in terms of the density + // v2rhosigma[]: second partial derivative of the energy per unit volume in terms of the density and sigma + // v2sigma2[]: second partial derivative of the energy per unit volume in terms of sigma + // // detailed expression can be found in https://libxc.gitlab.io/manual/libxc-5.1.x/ + + void LibxcInterface::example_gga_spin() + { + // 定义自旋极化系统的示例密度和梯度数据 + std::vector rho_up = {0.1, 0.2, 0.3}; + std::vector rho_down = {0.1, 0.2, 0.3}; + std::vector sigma_1 = {0.01, 0.02, 0.03}; + std::vector sigma_2 = {0.02, 0.01, 0.03}; + std::vector sigma_3 = {0.01, 0.02, 0.03}; + + // 计算交换-相关能量密度 + auto exc = gga_exc(rho_up, rho_down, sigma_1, sigma_2, sigma_3); + + // 计算交换-相关势 + std::vector vrho_1(rho_up.size()), vrho_2(rho_down.size()); + std::vector vsigma_1(sigma_1.size()), vsigma_2(sigma_2.size()), vsigma_3(sigma_3.size()); + gga_vxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, vrho_1, vrho_2, vsigma_1, vsigma_2, vsigma_3); + + // 计算交换-相关势的二阶导数 + std::vector v2rho2_1(rho_up.size()), v2rho2_2(rho_down.size()), v2rho2_3(rho_up.size()); + std::vector v2rhosigma_1(rho_up.size()), v2rhosigma_2(rho_up.size()), v2rhosigma_3(rho_up.size()), v2rhosigma_4(rho_up.size()), v2rhosigma_5(rho_up.size()), v2rhosigma_6(rho_up.size()); + std::vector v2sigma2_1(sigma_1.size()), v2sigma2_2(sigma_1.size()), v2sigma2_3(sigma_1.size()), v2sigma2_4(sigma_1.size()), v2sigma2_5(sigma_1.size()), v2sigma2_6(sigma_1.size()); + gga_fxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, v2rho2_1, v2rho2_2, v2rho2_3, v2rhosigma_1, v2rhosigma_2, v2rhosigma_3, v2rhosigma_4, v2rhosigma_5, v2rhosigma_6, v2sigma2_1, v2sigma2_2, v2sigma2_3, v2sigma2_4, v2sigma2_5, v2sigma2_6); + + // 输出结果 + std::cout << "GGA Exc: "; + for (auto e : exc) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "GGA VRho_1: "; + for (auto v : vrho_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "GGA VRho_2: "; + for (auto v : vrho_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "GGA VSigma_1: "; + for (auto v : vsigma_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "GGA VSigma_2: "; + for (auto v : vsigma_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "GGA VSigma_3: "; + for (auto v : vsigma_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "GGA V2Rho2_1: "; + for (auto f : v2rho2_1) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Rho2_2: "; + for (auto f : v2rho2_2) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Rho2_3: "; + for (auto f : v2rho2_3) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_1: "; + for (auto f : v2rhosigma_1) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_2: "; + for (auto f : v2rhosigma_2) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_3: "; + for (auto f : v2rhosigma_3) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_4: "; + for (auto f : v2rhosigma_4) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_5: "; + for (auto f : v2rhosigma_5) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2RhoSigma_6: "; + for (auto f : v2rhosigma_6) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_1: "; + for (auto f : v2sigma2_1) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_2: "; + for (auto f : v2sigma2_2) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_3: "; + for (auto f : v2sigma2_3) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_4: "; + for (auto f : v2sigma2_4) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_5: "; + for (auto f : v2sigma2_5) + std::cout << f << " "; + std::cout << std::endl; + + std::cout << "GGA V2Sigma2_6: "; + for (auto f : v2sigma2_6) + std::cout << f << " "; + std::cout << std::endl; + } + + void LibxcInterface::example_mgga_spin() +{ + // Define example density and gradient data for a spin-polarized system + std::vector rho_up = {0.1, 0.2, 0.3}; + std::vector rho_down = {0.1, 0.2, 0.3}; + std::vector sigma_1 = {0.01, 0.02, 0.03}; + std::vector sigma_2 = {0.02, 0.01, 0.03}; + std::vector sigma_3 = {0.01, 0.02, 0.03}; + std::vector lapl_up = {0.001, 0.002, 0.003}; + std::vector lapl_down = {0.001, 0.002, 0.003}; + std::vector tau_up = {0.0001, 0.0002, 0.0003}; + std::vector tau_down = {0.0001, 0.0002, 0.0003}; + + // Compute exchange-correlation energy density + auto exc = mgga_exc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, lapl_up, lapl_down, tau_up, tau_down); + + // Compute exchange-correlation potential + std::vector vrho_1(rho_up.size()), vrho_2(rho_down.size()); + std::vector vsigma_1(sigma_1.size()), vsigma_2(sigma_2.size()), vsigma_3(sigma_3.size()); + std::vector vlapl_1(lapl_up.size()), vlapl_2(lapl_down.size()); + std::vector vtau_1(tau_up.size()), vtau_2(tau_down.size()); + mgga_vxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, lapl_up, lapl_down, tau_up, tau_down, vrho_1, vrho_2, vsigma_1, vsigma_2, vsigma_3, vlapl_1, vlapl_2, vtau_1, vtau_2); + + // Compute second derivatives of the exchange-correlation potential + std::vector v2rho2_1(rho_up.size()), v2rho2_2(rho_down.size()), v2rho2_3(rho_up.size()); + std::vector v2rhosigma_1(rho_up.size()), v2rhosigma_2(rho_up.size()), v2rhosigma_3(rho_up.size()), v2rhosigma_4(rho_up.size()), v2rhosigma_5(rho_up.size()), v2rhosigma_6(rho_up.size()); + std::vector v2rholapl_1(rho_up.size()), v2rholapl_2(rho_up.size()), v2rholapl_3(rho_up.size()), v2rholapl_4(rho_up.size()); + std::vector v2rhotau_1(rho_up.size()), v2rhotau_2(rho_up.size()), v2rhotau_3(rho_up.size()), v2rhotau_4(rho_up.size()); + std::vector v2sigma2_1(sigma_1.size()), v2sigma2_2(sigma_1.size()), v2sigma2_3(sigma_1.size()), v2sigma2_4(sigma_1.size()), v2sigma2_5(sigma_1.size()), v2sigma2_6(sigma_1.size()); + std::vector v2sigmalapl_1(sigma_1.size()), v2sigmalapl_2(sigma_1.size()), v2sigmalapl_3(sigma_1.size()), v2sigmalapl_4(sigma_1.size()), v2sigmalapl_5(sigma_1.size()), v2sigmalapl_6(sigma_1.size()); + std::vector v2sigmatau_1(sigma_1.size()), v2sigmatau_2(sigma_1.size()), v2sigmatau_3(sigma_1.size()), v2sigmatau_4(sigma_1.size()), v2sigmatau_5(sigma_1.size()), v2sigmatau_6(sigma_1.size()); + std::vector v2lapl2_1(lapl_up.size()), v2lapl2_2(lapl_up.size()), v2lapl2_3(lapl_up.size()); + std::vector v2lapltau_1(lapl_up.size()), v2lapltau_2(lapl_up.size()), v2lapltau_3(lapl_up.size()), v2lapltau_4(lapl_up.size()); + std::vector v2tau2_1(tau_up.size()), v2tau2_2(tau_up.size()), v2tau2_3(tau_up.size()); + mgga_fxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, lapl_up, lapl_down, tau_up, tau_down, v2rho2_1, v2rho2_2, v2rho2_3, v2rhosigma_1, v2rhosigma_2, v2rhosigma_3, v2rhosigma_4, v2rhosigma_5, v2rhosigma_6, v2rholapl_1, v2rholapl_2, v2rholapl_3, v2rholapl_4, v2rhotau_1, v2rhotau_2, v2rhotau_3, v2rhotau_4, v2sigma2_1, v2sigma2_2, v2sigma2_3, v2sigma2_4, v2sigma2_5, v2sigma2_6, v2sigmalapl_1, v2sigmalapl_2, v2sigmalapl_3, v2sigmalapl_4, v2sigmalapl_5, v2sigmalapl_6, v2sigmatau_1, v2sigmatau_2, v2sigmatau_3, v2sigmatau_4, v2sigmatau_5, v2sigmatau_6, v2lapl2_1, v2lapl2_2, v2lapl2_3, v2lapltau_1, v2lapltau_2, v2lapltau_3, v2lapltau_4, v2tau2_1, v2tau2_2, v2tau2_3); + + // Output results + std::cout << "MGGA Exc: "; + for (auto e : exc) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "MGGA VRho_1: "; + for (auto v : vrho_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VRho_2: "; + for (auto v : vrho_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VSigma_1: "; + for (auto v : vsigma_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VSigma_2: "; + for (auto v : vsigma_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VSigma_3: "; + for (auto v : vsigma_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VLapl_1: "; + for (auto v : vlapl_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VLapl_2: "; + for (auto v : vlapl_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VTau_1: "; + for (auto v : vtau_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA VTau_2: "; + for (auto v : vtau_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Rho2_1: "; + for (auto v : v2rho2_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Rho2_2: "; + for (auto v : v2rho2_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Rho2_3: "; + for (auto v : v2rho2_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_1: "; + for (auto v : v2rhosigma_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_2: "; + for (auto v : v2rhosigma_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_3: "; + for (auto v : v2rhosigma_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_4: "; + for (auto v : v2rhosigma_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_5: "; + for (auto v : v2rhosigma_5) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoSigma_6: "; + for (auto v : v2rhosigma_6) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoLapl_1: "; + for (auto v : v2rholapl_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoLapl_2: "; + for (auto v : v2rholapl_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoLapl_3: "; + for (auto v : v2rholapl_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoLapl_4: "; + for (auto v : v2rholapl_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoTau_1: "; + for (auto v : v2rhotau_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoTau_2: "; + for (auto v : v2rhotau_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoTau_3: "; + for (auto v : v2rhotau_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2RhoTau_4: "; + for (auto v : v2rhotau_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_1: "; + for (auto v : v2sigma2_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_2: "; + for (auto v : v2sigma2_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_3: "; + for (auto v : v2sigma2_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_4: "; + for (auto v : v2sigma2_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_5: "; + for (auto v : v2sigma2_5) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Sigma2_6: "; + for (auto v : v2sigma2_6) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_1: "; + for (auto v : v2sigmalapl_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_2: "; + for (auto v : v2sigmalapl_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_3: "; + for (auto v : v2sigmalapl_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_4: "; + for (auto v : v2sigmalapl_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_5: "; + for (auto v : v2sigmalapl_5) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaLapl_6: "; + for (auto v : v2sigmalapl_6) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_1: "; + for (auto v : v2sigmatau_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_2: "; + for (auto v : v2sigmatau_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_3: "; + for (auto v : v2sigmatau_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_4: "; + for (auto v : v2sigmatau_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_5: "; + for (auto v : v2sigmatau_5) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2SigmaTau_6: "; + for (auto v : v2sigmatau_6) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Lapl2_1: "; + for (auto v : v2lapl2_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Lapl2_2: "; + for (auto v : v2lapl2_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Lapl2_3: "; + for (auto v : v2lapl2_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2LaplTau_1: "; + for (auto v : v2lapltau_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2LaplTau_2: "; + for (auto v : v2lapltau_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2LaplTau_3: "; + for (auto v : v2lapltau_3) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2LaplTau_4: "; + for (auto v : v2lapltau_4) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Tau2_1: "; + for (auto v : v2tau2_1) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Tau2_2: "; + for (auto v : v2tau2_2) + std::cout << v << " "; + std::cout << std::endl; + + std::cout << "MGGA V2Tau2_3: "; + for (auto v : v2tau2_3) + std::cout << v << " "; +} + + + + + ///////////////////////////////////////////////////////////// + //meta-GGA START, up to the second derivative + // meta-GGA Energy Density for spin-polarized systems + /* + std::vector gga_exc(const std::vector &rho_up, const std::vector &rho_down, const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3) + { + int np = rho_up.size(); + std::vector rho(2 * np); + std::vector sigma(3 * np); + for (int i = 0; i < np; ++i) + { + rho[2 * i] = rho_up[i]; + rho[2 * i + 1] = rho_down[i]; + sigma[3 * i] = sigma_1[i]; + sigma[3 * i + 1] = sigma_2[i]; + sigma[3 * i + 2] = sigma_3[i]; + } + std::vector exc(np); + xc_gga_exc(&func, np, rho.data(), sigma.data(), exc.data()); + return exc; + } +*/ + + + + + + + + + + +////////////////////////////////////////////////////////////////////////////////////////////////// + +// MAIN FOR INDENPENDENT TEST +/* +int main() +{ + // //LDA test + try + { + LibxcInterface libxc(1, true); // Example with spin-polarized LDA (xc_id = 1) + libxc.example_lda_spin(); + } + catch (const std::exception& ex) + { + std::cerr << "Error: " << ex.what() << std::endl; + } + std::cout << "####################################################\n" << std::endl; + + // //GGA test + try + { + LibxcInterface libxc(101, true); // Example with spin-polarized GGA (xc_id = 101) + libxc.example_gga_spin(); + } + catch (const std::exception &ex) + { + std::cerr << "Error: " << ex.what() << std::endl; + } + std::cout << "####################################################\n" << std::endl; + + // //meta-GGA test + try + { + LibxcInterface libxc(202, true); // Example with spin-polarized meta-GGA (xc_id = 202) + libxc.example_mgga_spin(); + } + catch (const std::exception& ex) + { + std::cerr << "Error: " << ex.what() << std::endl; + } + + return 0; +} +*/ + + +////////////////////////////////////////////////////////////////////////////////////////////////// + diff --git a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h new file mode 100755 index 0000000000..2466d570f2 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h @@ -0,0 +1,78 @@ +// Programmed by Xiaoyu Zhang at Peking University, Beijing, China 2024/08/26 + +#ifndef INTERFACE_TO_LIBXC_H +#define INTERFACE_TO_LIBXC_H + +#include +#include +#include + +class LibxcInterface +{ +private: + xc_func_type func; + +public: + // Constructor with spin polarization + LibxcInterface(int xc_id, bool spin_polarized = false); + + // Destructor + ~LibxcInterface(); + + std::vector lda_exc(const std::vector &rho_up, const std::vector &rho_down); + void lda_vxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &vrho_1, std::vector &vrho_2); + void lda_fxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3); + void lda_kxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v3rho3_1, std::vector &v3rho3_2, std::vector &v3rho3_3, std::vector &v3rho3_4); + void lda_lxc(const std::vector &rho_up, const std::vector &rho_down, + std::vector &v4rho4_1, std::vector &v4rho4_2, std::vector &v4rho4_3, std::vector &v4rho4_4, std::vector &v4rho4_5); + + std::vector gga_exc(const std::vector &rho_up, const std::vector &rho_down, const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3); + void gga_vxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, std::vector &vrho_1, std::vector &vrho_2, + std::vector &vsigma_1, std::vector &vsigma_2, std::vector &vsigma_3); + void gga_fxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3, + std::vector &v2rhosigma_1, std::vector &v2rhosigma_2, std::vector &v2rhosigma_3, std::vector &v2rhosigma_4, std::vector &v2rhosigma_5, std::vector &v2rhosigma_6, std::vector &v2sigma2_1, std::vector &v2sigma2_2, std::vector &v2sigma2_3, std::vector &v2sigma2_4, std::vector &v2sigma2_5, std::vector &v2sigma2_6); + std::vector mgga_exc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, + const std::vector &sigma_3, const std::vector &lapl_up, + const std::vector &lapl_down, const std::vector &tau_up, + const std::vector &tau_down); + void mgga_vxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + const std::vector &lapl_up, const std::vector &lapl_down, + const std::vector &tau_up, const std::vector &tau_down, + std::vector &vrho_1, std::vector &vrho_2, + std::vector &vsigma_1, std::vector &vsigma_2, std::vector &vsigma_3, + std::vector &vlapl_1, std::vector &vlapl_2, + std::vector &vtau_1, std::vector &vtau_2); + void mgga_fxc(const std::vector &rho_up, const std::vector &rho_down, + const std::vector &sigma_1, const std::vector &sigma_2, const std::vector &sigma_3, + const std::vector &lapl_up, const std::vector &lapl_down, + const std::vector &tau_up, const std::vector &tau_down, + std::vector &v2rho2_1, std::vector &v2rho2_2, std::vector &v2rho2_3, + std::vector &v2rhosigma_1, std::vector &v2rhosigma_2, std::vector &v2rhosigma_3, + std::vector &v2rhosigma_4, std::vector &v2rhosigma_5, std::vector &v2rhosigma_6, + std::vector &v2rholapl_1, std::vector &v2rholapl_2, std::vector &v2rholapl_3, std::vector &v2rholapl_4, + std::vector &v2rhotau_1, std::vector &v2rhotau_2, std::vector &v2rhotau_3,std::vector &v2rhotau_4, + std::vector &v2sigma2_1, std::vector &v2sigma2_2, std::vector &v2sigma2_3, + std::vector &v2sigma2_4, std::vector &v2sigma2_5, std::vector &v2sigma2_6, + std::vector &v2sigmalapl_1, std::vector &v2sigmalapl_2, std::vector &v2sigmalapl_3, + std::vector &v2sigmalapl_4, std::vector &v2sigmalapl_5, std::vector &v2sigmalapl_6, + std::vector &v2sigmatau_1, std::vector &v2sigmatau_2, std::vector &v2sigmatau_3, + std::vector &v2sigmatau_4, std::vector &v2sigmatau_5, std::vector &v2sigmatau_6, + std::vector &v2lapl2_1, std::vector &v2lapl2_2, std::vector &v2lapl2_3, + std::vector &v2lapltau_1, std::vector &v2lapltau_2, std::vector &v2lapltau_3, std::vector &v2lapltau_4, + std::vector &v2tau2_1, std::vector &v2tau2_2, std::vector &v2tau2_3); + + + void example_lda_spin(); + void example_gga_spin(); + void example_mgga_spin(); +}; + +#endif // INTERFACE_TO_LIBXC_H \ No newline at end of file diff --git a/source/module_hamilt_general/module_xc/NCLibxc/test_NCLibxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/test_NCLibxc.cpp new file mode 100755 index 0000000000..eab0441656 --- /dev/null +++ b/source/module_hamilt_general/module_xc/NCLibxc/test_NCLibxc.cpp @@ -0,0 +1,72 @@ +// Programmed by Xiaoyu Zhang at Peking University, Beijing, China 2024/10/05 +// Ref: PHYSICAL REVIEW RESEARCH 5, 013036 (2023) +// This file tests the NCLibxc library. +// how to compile as an independent program: +/* + module load libxc/5.2.3-icc17 + module load gcc/7.3.0-wzm + g++ -std=c++17 -o my_program NCLibxc.cpp LebedevGrid.cpp interface_to_libxc.cpp NCLibxc.h test_NCLibxc.cpp -I/public1/soft/libxc/install/include -L/public1/soft/libxc/install/lib -lxc +*/ + +#include "NCLibxc.h" +#include +#include +#include +#include + +int main() { + try { + NCLibxc::print_NCLibxc(); + // 示例输入数据 + std::vector n = {1.0, 1.0, 1.0}; + std::vector mx = {0.1, 0.1, 0.0}; + std::vector my = {0.0, 0.1, 0.1414}; + std::vector mz = {0.1, 0.0, 0.0}; + int xc_id = 1; // 例如，设置xc_id为1 + + // 调用 lda_mc 函数 + auto [E_MC, V_MC] = NCLibxc::lda_mc(xc_id, n, mx, my, mz); + + // 输出结果 + std::cout << "Total E for each real-space grid point:" << std::endl; + for (const auto &e : E_MC) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "Total V for each real-space grid point:" << std::endl; + for (const auto &matrix : V_MC) { + for (const auto &row : matrix) { + for (const auto &elem : row) { + std::cout << elem << " "; + } + std::cout << std::endl; + } + std::cout << std::endl; + } + + auto [E_LC, V_LC] = NCLibxc::lda_lc(xc_id, n, mx, my, mz); + + std::cout << "Total E for each real-space grid point:" << std::endl; + for (const auto &e : E_LC) + std::cout << e << " "; + std::cout << std::endl; + + std::cout << "Total V for each real-space grid point:" << std::endl; + for (const auto &matrix : V_LC) + { + for (const auto &row : matrix) + { + for (const auto &elem : row) + { + std::cout << elem << " "; + } + std::cout << std::endl; + } + std::cout << std::endl; + } + } catch (const std::exception& ex) { + std::cerr << "Error: " << ex.what() << std::endl; + } + + return 0; +} \ No newline at end of file diff --git a/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp new file mode 100755 index 0000000000..11271112ee --- /dev/null +++ b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp @@ -0,0 +1,245 @@ +// Programmed by Xiaoyu Zhang at Peking University, Beijing, China 2024/10/14 +// This file is for implementing multi-collinear appraoch for GGA functionals. +// NCLibxc package only completes multi-collienar approach for LDA functionals, because the GGA functionals need gradient that is entangled with ABACUS. +//Ref: PHYSICAL REVIEW RESEARCH 5, 013036 (2023) +#include "xc_functional.h" +#include "module_base/parallel_reduce.h" +#include "module_base/timer.h" +#include "NCLibxc/NCLibxc.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include "NCLibxc/interface_to_libxc.h" +#include +#include +#include + +using namespace ModuleBase; + +/////////////////////////////////////////////////////////////////////////////////// + +// post-processing of libxc. get partial derivatives from libxc and integrate them to get the 0th,1st,2nd derivatives of the functional +//Note that e is the exchange and correlation energy per electron per volume. You need to multiply by \rho before the integration. +/* +v1=0, v2=1, f1=0,0, f2=0,1, f3=1,1 +*/ +void XC_Functional::postlibxc_gga(int xc_id, const std::vector& rho_up, const std::vector& rho_down, + std::vector& e, std::vector& v1, std::vector& v2, + std::vector& f1, std::vector& f2, std::vector& f3,const Charge* const chr,const double tpiba) +{ + LibxcInterface libxc(xc_id, true); // xc_id now passed from the caller + + int nrxx = rho_up.size(); + std::vector> grad_rhoup(nrxx); + std::vector> grad_rhodn(nrxx); + + + + std::vector> g_rhoup(chr->rhopw->npw); // temporary storage for a scalar in reciprocal space + std::vector> g_rhodn(chr->rhopw->npw); // temporary storage for a scalar in reciprocal space + + chr->rhopw->real2recip(rho_up.data(), g_rhoup.data()); + XC_Functional::grad_rho(g_rhoup.data(), grad_rhoup.data(), chr->rhopw, tpiba); + chr->rhopw->real2recip(rho_down.data(), g_rhodn.data()); + XC_Functional::grad_rho(g_rhodn.data(), grad_rhodn.data(), chr->rhopw, tpiba); + + std::vector sigma_1(nrxx), sigma_2(nrxx), sigma_3(nrxx); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for (int ir = 0; ir < nrxx; ++ir) + { + sigma_1[ir] = grad_rhoup[ir] * grad_rhoup[ir]; + sigma_2[ir] = grad_rhoup[ir] * grad_rhodn[ir]; + sigma_3[ir] = grad_rhodn[ir] * grad_rhodn[ir]; + } + std::vector exc = libxc.gga_exc(rho_up, rho_down, sigma_1, sigma_2, sigma_3); + + std::vector vrho_1(nrxx), vrho_2(nrxx); + std::vector vsigma_1(nrxx), vsigma_2(nrxx), vsigma_3(nrxx); + libxc.gga_vxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, + vrho_1, vrho_2, vsigma_1, vsigma_2, vsigma_3); + + std::vector v2rho2_1(nrxx), v2rho2_2(nrxx), v2rho2_3(nrxx); + std::vector v2rhosigma_1(nrxx), v2rhosigma_2(nrxx), v2rhosigma_3(nrxx); + std::vector v2rhosigma_4(nrxx), v2rhosigma_5(nrxx), v2rhosigma_6(nrxx); + std::vector v2sigma2_1(nrxx), v2sigma2_2(nrxx), v2sigma2_3(nrxx); + std::vector v2sigma2_4(nrxx), v2sigma2_5(nrxx), v2sigma2_6(nrxx); + + libxc.gga_fxc(rho_up, rho_down, sigma_1, sigma_2, sigma_3, + v2rho2_1, v2rho2_2, v2rho2_3, + v2rhosigma_1, v2rhosigma_2, v2rhosigma_3, + v2rhosigma_4, v2rhosigma_5, v2rhosigma_6, + v2sigma2_1, v2sigma2_2, v2sigma2_3, + v2sigma2_4, v2sigma2_5, v2sigma2_6); +/////////////////////////////////////////////////////////////////////////////////// For v + std::vector> hup(nrxx);// h is the additional part compared to lda + std::vector> hdn(nrxx); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for (int ir = 0; ir < nrxx; ++ir) + { + hup[ir] = 2.0*(grad_rhoup[ir]* vsigma_1[ir]) +grad_rhodn[ir]*vsigma_2[ir]; + hdn[ir] = 2.0*(grad_rhodn[ir]* vsigma_3[ir]) +grad_rhoup[ir]*vsigma_2[ir]; + } + + std::vector div_hup(nrxx);// div_h is the divergence of h + std::vector div_hdn(nrxx); + XC_Functional::grad_dot( hup.data(), div_hup.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( hdn.data(), div_hdn.data(), chr->rhopw, tpiba); +/////////////////////////////////////////////////////////////////////////////////// For f + std::vector> h1(nrxx); + std::vector> h2(nrxx); + std::vector> h3(nrxx); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for (int ir = 0; ir < nrxx; ++ir) + { + h1[ir] = 2.0*(grad_rhoup[ir]* v2rhosigma_1[ir]) +grad_rhodn[ir]*v2rhosigma_2[ir]; + h2[ir] = 2.0*(grad_rhoup[ir]* v2rhosigma_4[ir]) +grad_rhodn[ir]*v2rhosigma_5[ir]+2.0*(grad_rhodn[ir]*v2rhosigma_3[ir]) +grad_rhoup[ir]*v2rhosigma_2[ir]; + h3[ir] = 2.0*(grad_rhodn[ir]* v2rhosigma_6[ir]) +grad_rhoup[ir]*v2rhosigma_5[ir]; + } + + std::vector div_h1(nrxx); + std::vector div_h2(nrxx); + std::vector div_h3(nrxx); + XC_Functional::grad_dot( h1.data(), div_h1.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( h2.data(), div_h2.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( h3.data(), div_h3.data(), chr->rhopw, tpiba); + + std::vector>> H1(3, std::vector>(nrxx)); + std::vector>> H2(3, std::vector>(nrxx)); + std::vector>> H3(3, std::vector>(nrxx)); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for (int ir = 0; ir < nrxx; ++ir){ + H1[0][ir] = (2.0*grad_rhoup[ir][0]* v2sigma2_1[ir] +grad_rhodn[ir][0]*v2sigma2_2[ir])*(2.0*grad_rhoup[ir])+(2.0*grad_rhoup[ir][0]* v2sigma2_2[ir] +grad_rhodn[ir][0]*v2sigma2_4[ir])*grad_rhodn[ir]; + H1[1][ir] = (2.0*grad_rhoup[ir][1]* v2sigma2_1[ir] +grad_rhodn[ir][1]*v2sigma2_2[ir])*(2.0*grad_rhoup[ir])+(2.0*grad_rhoup[ir][1]* v2sigma2_2[ir] +grad_rhodn[ir][1]*v2sigma2_4[ir])*grad_rhodn[ir]; + H1[2][ir] = (2.0*grad_rhoup[ir][2]* v2sigma2_1[ir] +grad_rhodn[ir][2]*v2sigma2_2[ir])*(2.0*grad_rhoup[ir])+(2.0*grad_rhoup[ir][2]* v2sigma2_2[ir] +grad_rhodn[ir][2]*v2sigma2_4[ir])*grad_rhodn[ir]; + + H2[0][ir] = (v2sigma2_3[ir]*2.0*grad_rhoup[ir][0]+v2sigma2_5[ir]*grad_rhodn[ir][0])*(2.0*grad_rhodn[ir])+(v2sigma2_2[ir]*2.0*grad_rhoup[ir][0]+v2sigma2_4[ir]*grad_rhodn[ir][0])*grad_rhoup[ir]; + H2[1][ir] = (v2sigma2_3[ir]*2.0*grad_rhoup[ir][1]+v2sigma2_5[ir]*grad_rhodn[ir][1])*(2.0*grad_rhodn[ir])+(v2sigma2_2[ir]*2.0*grad_rhoup[ir][1]+v2sigma2_4[ir]*grad_rhodn[ir][1])*grad_rhoup[ir]; + H2[2][ir] = (v2sigma2_3[ir]*2*grad_rhoup[ir][2]+v2sigma2_5[ir]*grad_rhodn[ir][2])*(2.0*grad_rhodn[ir])+(v2sigma2_2[ir]*2.0*grad_rhoup[ir][2]+v2sigma2_4[ir]*grad_rhodn[ir][2])*grad_rhoup[ir]; + + H3[0][ir] = (2.0*grad_rhodn[ir][0]*v2sigma2_6[ir]+grad_rhoup[ir][0]*v2sigma2_5[ir])*2.0*grad_rhoup[ir]+(2.0*grad_rhodn[ir][0]*v2sigma2_5[ir]+grad_rhoup[ir][0]*v2sigma2_4[ir])*grad_rhodn[ir]; + H3[1][ir] = (2.0*grad_rhodn[ir][1]*v2sigma2_6[ir]+grad_rhoup[ir][1]*v2sigma2_5[ir])*2.0*grad_rhoup[ir]+(2.0*grad_rhodn[ir][1]*v2sigma2_5[ir]+grad_rhoup[ir][1]*v2sigma2_4[ir])*grad_rhodn[ir]; + H3[2][ir] = (2.0*grad_rhodn[ir][2]*v2sigma2_6[ir]+grad_rhoup[ir][2]*v2sigma2_5[ir])*2.0*grad_rhoup[ir]+(2.0*grad_rhodn[ir][2]*v2sigma2_5[ir]+grad_rhoup[ir][2]*v2sigma2_4[ir])*grad_rhodn[ir]; + } + + std::vector> div_H1(3, std::vector(nrxx)); + std::vector> div_H2(3, std::vector(nrxx)); + std::vector> div_H3(3, std::vector(nrxx)); + + for(int coords=0;coords<3;coords++){ + XC_Functional::grad_dot( H1[coords].data(), div_H1[coords].data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( H2[coords].data(), div_H2[coords].data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( H3[coords].data(), div_H3[coords].data(), chr->rhopw, tpiba); + } + + std::vector> vec_div_H1(nrxx); + std::vector> vec_div_H2(nrxx); + std::vector> vec_div_H3(nrxx); + std::vector div_div_H1(nrxx); + std::vector div_div_H2(nrxx); + std::vector div_div_H3(nrxx); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for(int ir=0; irrhopw, tpiba); + XC_Functional::grad_dot( vec_div_H2.data(), div_div_H2.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( vec_div_H3.data(), div_div_H3.data(), chr->rhopw, tpiba); + + + + e.resize(rho_up.size()); + v1.resize(rho_up.size()); + v2.resize(rho_down.size()); + f1.resize(rho_up.size()); + f2.resize(rho_down.size()); + f3.resize(rho_up.size()); +#ifdef _OPENMP +#pragma omp parallel for schedule(static, 1024) +#endif + for (size_t i = 0; i < rho_up.size(); ++i) { + e[i] = exc[i] ; + v1[i] = vrho_1[i]-div_hup[i] ; + v2[i] = vrho_2[i]-div_hdn[i] ; + f1[i] = v2rho2_1[i]-2.0*div_h1[i]+div_div_H1[i] ; + f2[i] = v2rho2_2[i]-div_h2[i]+div_div_H2[i] ; + f3[i] = v2rho2_3[i]-2.0*div_h3[i]+div_div_H3[i] ; + } +} + +/////////////////////////////////////////////////////////////////////////////////// + + + +std::pair, std::vector> XC_Functional::gga_mc(int xc_id, const std::vector& n, + const std::vector& mx, const std::vector& my, const std::vector& mz,const Charge* const chr,const double tpiba) +{ + std::vector nums = {6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810}; // available grid levels + + int grid_level = nums[20]; // set number of grid points. more than 1202 is recommended. default is 1454（20-th） + std::vector> grids = MakeAngularGrid(grid_level); + + size_t num_points = n.size(); + std::vector E(num_points, 0.0); + std::vector V(num_points, {{{0.0, 0.0}, {0.0, 0.0}}}); + + + for (size_t j = 0; j < grids.size(); ++j) // 遍历 grids 的索引 + { + double x = grids[j][0]; + double y = grids[j][1]; + double z = grids[j][2]; + double w = grids[j][3]; + + std::vector rho_up(num_points, 0.0); + std::vector rho_down(num_points, 0.0); + std::vector m_omega(num_points, 0.0); + + for (size_t i = 0; i < num_points; ++i) + { + m_omega[i] = mx[i] * x + my[i] * y + mz[i] * z; + rho_up[i] = (n[i] + m_omega[i]) / 2.0; + rho_down[i] = (n[i] - m_omega[i]) / 2.0; + } + + std::vector e(num_points, 0.0), v1(num_points, 0.0), v2(num_points, 0.0), f1(num_points, 0.0), f2(num_points, 0.0), f3(num_points, 0.0); + postlibxc_gga(xc_id, rho_up, rho_down, e, v1, v2, f1, f2, f3, chr, tpiba); + + std::vector Eeff(num_points, 0.0); + std::vector Veff(num_points, {{{0.0, 0.0}, {0.0, 0.0}}}); + + for (size_t i = 0; i < num_points; ++i) + { + Eeff[i] = e[i] + 0.5 * (m_omega[i] / n[i]) * (v1[i] - v2[i]); + + Matrix2x2 pauli_matrix = NCLibxc::construct_pauli_matrix(x, y, z); + Matrix2x2 term1 = NCLibxc::scalar_multiply(((v1[i] - v2[i]) + 0.25 * m_omega[i] * (f1[i] + f3[i] - 2 * f2[i])), pauli_matrix); + Matrix2x2 term2 = NCLibxc::scalar_multiply((0.5 * (v1[i] + v2[i]) + 0.25 * m_omega[i] * (f1[i] - f3[i])), NCLibxc::identity_matrix()); + Veff[i] = NCLibxc::add(term1, term2); + E[i] += Eeff[i] * w; + V[i] = NCLibxc::add(V[i], NCLibxc::scalar_multiply(w, Veff[i])); + + } + } + + return {E, V}; +} From ea9b954af6dfac987b936e754226cc23ad685d01 Mon Sep 17 00:00:00 2001 From: jinzx10 Date: Tue, 12 Nov 2024 15:14:49 +0800 Subject: [PATCH 3/6] fix compilation error --- .../module_xc/NCLibxc/NCLibxc.cpp | 2 + .../module_xc/NCLibxc/NCLibxc.h | 5 +- .../module_xc/NCLibxc/interface_to_libxc.cpp | 5 +- .../module_xc/NCLibxc/interface_to_libxc.h | 6 +- .../module_xc/xc_functional_NCLibxc_gga.cpp | 5 ++ .../module_xc/xc_functional_libxc_vxc.cpp | 10 ++- .../module_xc/xc_functional_vxc.cpp | 77 ++++++++++--------- 7 files changed, 69 insertions(+), 41 deletions(-) diff --git a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp index 36f0450312..672664562f 100755 --- a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp +++ b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.cpp @@ -7,6 +7,7 @@ module load gcc/7.3.0-wzm g++ -std=c++17 -o my_program NCLibxc.cpp LebedevGrid.cpp interface_to_libxc.cpp -I/public1/soft/libxc/install/include -L/public1/soft/libxc/install/lib -lxc */ +#ifdef USE_LIBXC #include "NCLibxc.h" #include "interface_to_libxc.h" #include @@ -309,3 +310,4 @@ int main() } */ +#endif // USE_LIBXC diff --git a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h index 0a62650236..3cd55ced9d 100755 --- a/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h +++ b/source/module_hamilt_general/module_xc/NCLibxc/NCLibxc.h @@ -1,6 +1,8 @@ #ifndef NCLIBXC_H #define NCLIBXC_H +#ifdef USE_LIBXC + #include #include #include @@ -50,5 +52,6 @@ class NCLibxc { // 声明 MakeAngularGrid 函数 std::vector> MakeAngularGrid(int grid_level); +#endif // USE_LIBXC -#endif // NCLIBXC_H \ No newline at end of file +#endif // NCLIBXC_H diff --git a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp index 51c6f93d96..ccc760bc49 100755 --- a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp +++ b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp @@ -7,6 +7,9 @@ // ./my_program // func_id can be found in the libxc website https://libxc.gitlab.io/functionals/ + +#ifdef USE_LIBXC + #include "interface_to_libxc.h" #include @@ -1046,4 +1049,4 @@ int main() ////////////////////////////////////////////////////////////////////////////////////////////////// - +#endif // USE_LIBXC diff --git a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h index 2466d570f2..1bf8535a08 100755 --- a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h +++ b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.h @@ -3,6 +3,8 @@ #ifndef INTERFACE_TO_LIBXC_H #define INTERFACE_TO_LIBXC_H +#ifdef USE_LIBXC + #include #include #include @@ -75,4 +77,6 @@ class LibxcInterface void example_mgga_spin(); }; -#endif // INTERFACE_TO_LIBXC_H \ No newline at end of file +#endif // USE_LIBXC + +#endif // INTERFACE_TO_LIBXC_H diff --git a/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp index 11271112ee..ba6ebca412 100755 --- a/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp @@ -2,6 +2,9 @@ // This file is for implementing multi-collinear appraoch for GGA functionals. // NCLibxc package only completes multi-collienar approach for LDA functionals, because the GGA functionals need gradient that is entangled with ABACUS. //Ref: PHYSICAL REVIEW RESEARCH 5, 013036 (2023) + +#ifdef USE_LIBXC + #include "xc_functional.h" #include "module_base/parallel_reduce.h" #include "module_base/timer.h" @@ -243,3 +246,5 @@ std::pair, std::vector> XC_Functional::gga_mc(int return {E, V}; } + +#endif // USE_LIBXC diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp index b331a5bf0e..66503b8de4 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp @@ -152,8 +152,11 @@ std::tuple XC_Functional_Libxc::v_xc_libxc( / if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive continue; } + std::vector E_MC; + std::vector V_MC; for(const int &id : func_id){ - auto [E_MC, V_MC] = NCLibxc::lda_mc(id, n, mx, my, mz); + //auto [E_MC, V_MC] = NCLibxc::lda_mc(id, n, mx, my, mz); + std::tie(E_MC, V_MC) = NCLibxc::lda_mc(id, n, mx, my, mz); exc = e2*E_MC[0]; v_nspin4(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); v_nspin4(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); @@ -189,8 +192,11 @@ std::tuple XC_Functional_Libxc::v_xc_libxc( / // } // } + std::vector E_MC; + std::vector V_MC; for (const int& id : func_id) { - auto [E_MC, V_MC] = XC_Functional::gga_mc(id, n, mx, my, mz, chr, tpiba); + //auto [E_MC, V_MC] = XC_Functional::gga_mc(id, n, mx, my, mz, chr, tpiba); + std::tie(E_MC, V_MC) = XC_Functional::gga_mc(id, n, mx, my, mz, chr, tpiba); #ifdef _OPENMP #pragma omp parallel for schedule(static, 1024) reduction(+:etxc) reduction(+:vtxc) #endif diff --git a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp index 1e7d8c4339..be91bd73ef 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp @@ -10,8 +10,8 @@ #include "module_parameter/parameter.h" #ifdef USE_LIBXC -#include "xc_functional_libxc.h" #include "NCLibxc/NCLibxc.h" +#include "xc_functional_libxc.h" #include #include #include @@ -179,40 +179,45 @@ std::tuple XC_Functional::v_xc( if (PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1 && (func_type == 0 || func_type == 1) ) { // noncollinear case added by Xiaoyu Zhang, Peking University, 2024.10.02. multicollinear method for lda Since NCLibxc needs libxc, this part codes will not be used. - NCLibxc::print_NCLibxc(); -#ifdef _OPENMP -#pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) -#endif - for(int ir = 0;ir n = {chr->rho[0][ir] + chr->rho_core[ir]}; - std::vector mx = {chr->rho[1][ir]}; - std::vector my = {chr->rho[2][ir]}; - std::vector mz = {chr->rho[3][ir]}; - double amag = sqrt( pow(chr->rho[1][ir],2) + pow(chr->rho[2][ir],2) + pow(chr->rho[3][ir],2) ); - if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive - continue; - } - for(const int &id : func_id){ - auto [E_MC, V_MC] = NCLibxc::lda_mc(id, n, mx, my, mz); - exc = e2*E_MC[0]; - v(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); - v(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); - v(2, ir) += std::real(e2*(V_MC[0][1][0]-V_MC[0][0][1])/twoi); - v(3, ir) += std::real(e2*(V_MC[0][0][0]-V_MC[0][1][1])/two); - etxc += exc * n[0]; - vtxc += v(0, ir) * chr->rho[0][ir] + v(1, ir) * chr->rho[1][ir] + v(2, ir) * chr->rho[2][ir] + v(3, ir) * chr->rho[3][ir]; - } - } + + std::cerr << "Error: Multi-collinear approach does not support running without Libxc." << std::endl; + std::exit(EXIT_FAILURE); +// NCLibxc::print_NCLibxc(); +//#ifdef _OPENMP +//#pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) +//#endif +// for(int ir = 0;ir n = {chr->rho[0][ir] + chr->rho_core[ir]}; +// std::vector mx = {chr->rho[1][ir]}; +// std::vector my = {chr->rho[2][ir]}; +// std::vector mz = {chr->rho[3][ir]}; +// double amag = sqrt( pow(chr->rho[1][ir],2) + pow(chr->rho[2][ir],2) + pow(chr->rho[3][ir],2) ); +// if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive +// continue; +// } +// std::vector E_MC; +// std::vector V_MC; +// for(const int &id : func_id){ +// std::tie(E_MC, V_MC) = NCLibxc::lda_mc(id, n, mx, my, mz); +// exc = e2*E_MC[0]; +// v(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); +// v(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); +// v(2, ir) += std::real(e2*(V_MC[0][1][0]-V_MC[0][0][1])/twoi); +// v(3, ir) += std::real(e2*(V_MC[0][0][0]-V_MC[0][1][1])/two); +// etxc += exc * n[0]; +// vtxc += v(0, ir) * chr->rho[0][ir] + v(1, ir) * chr->rho[1][ir] + v(2, ir) * chr->rho[2][ir] + v(3, ir) * chr->rho[3][ir]; +// } +// } } @@ -224,7 +229,7 @@ std::tuple XC_Functional::v_xc( std::vector dum; if(PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1) { if(func_type == 2 || func_type == 3) { - NCLibxc::print_NCLibxc(); + //NCLibxc::print_NCLibxc(); } if(func_type == 4 || func_type == 5) { std::cerr << "Error: Multi-collinear approach hasn't support hybrid functioanl yet" << std::endl; From 3a8676d8db2d36587e982b76646f0eb351766e86 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci-lite[bot]" <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com> Date: Tue, 12 Nov 2024 12:53:42 +0000 Subject: [PATCH 4/6] [pre-commit.ci lite] apply automatic fixes --- .../module_xc/NCLibxc/interface_to_libxc.cpp | 410 +++++++++++------- .../module_xc/xc_functional_libxc_vxc.cpp | 6 +- 2 files changed, 250 insertions(+), 166 deletions(-) mode change 100755 => 100644 source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp diff --git a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp old mode 100755 new mode 100644 index ccc760bc49..72f9b3f042 --- a/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp +++ b/source/module_hamilt_general/module_xc/NCLibxc/interface_to_libxc.cpp @@ -445,33 +445,39 @@ LibxcInterface::~LibxcInterface() // lda_lxc(rho_up, rho_down, v4rho4_1, v4rho4_2, v4rho4_3, v4rho4_4, v4rho4_5); std::cout << "Exc: "; - for (auto e : exc) - std::cout << e << " "; + for (auto e : exc) { + std::cout << e << " "; +} std::cout << std::endl; std::cout << "VRho_1: "; - for (auto v : vrho_1) - std::cout << v << " "; + for (auto v : vrho_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "VRho_2: "; - for (auto v : vrho_2) - std::cout << v << " "; + for (auto v : vrho_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "V2Rho2_1: "; - for (auto f : v2rho2_1) - std::cout << f << " "; + for (auto f : v2rho2_1) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "V2Rho2_2: "; - for (auto f : v2rho2_2) - std::cout << f << " "; + for (auto f : v2rho2_2) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "V2Rho2_3: "; - for (auto f : v2rho2_3) - std::cout << f << " "; + for (auto f : v2rho2_3) { + std::cout << f << " "; +} std::cout << std::endl; // std::cout << "V3Rho3_1: "; @@ -550,108 +556,129 @@ LibxcInterface::~LibxcInterface() // 输出结果 std::cout << "GGA Exc: "; - for (auto e : exc) - std::cout << e << " "; + for (auto e : exc) { + std::cout << e << " "; +} std::cout << std::endl; std::cout << "GGA VRho_1: "; - for (auto v : vrho_1) - std::cout << v << " "; + for (auto v : vrho_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "GGA VRho_2: "; - for (auto v : vrho_2) - std::cout << v << " "; + for (auto v : vrho_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "GGA VSigma_1: "; - for (auto v : vsigma_1) - std::cout << v << " "; + for (auto v : vsigma_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "GGA VSigma_2: "; - for (auto v : vsigma_2) - std::cout << v << " "; + for (auto v : vsigma_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "GGA VSigma_3: "; - for (auto v : vsigma_3) - std::cout << v << " "; + for (auto v : vsigma_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "GGA V2Rho2_1: "; - for (auto f : v2rho2_1) - std::cout << f << " "; + for (auto f : v2rho2_1) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Rho2_2: "; - for (auto f : v2rho2_2) - std::cout << f << " "; + for (auto f : v2rho2_2) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Rho2_3: "; - for (auto f : v2rho2_3) - std::cout << f << " "; + for (auto f : v2rho2_3) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_1: "; - for (auto f : v2rhosigma_1) - std::cout << f << " "; + for (auto f : v2rhosigma_1) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_2: "; - for (auto f : v2rhosigma_2) - std::cout << f << " "; + for (auto f : v2rhosigma_2) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_3: "; - for (auto f : v2rhosigma_3) - std::cout << f << " "; + for (auto f : v2rhosigma_3) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_4: "; - for (auto f : v2rhosigma_4) - std::cout << f << " "; + for (auto f : v2rhosigma_4) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_5: "; - for (auto f : v2rhosigma_5) - std::cout << f << " "; + for (auto f : v2rhosigma_5) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2RhoSigma_6: "; - for (auto f : v2rhosigma_6) - std::cout << f << " "; + for (auto f : v2rhosigma_6) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_1: "; - for (auto f : v2sigma2_1) - std::cout << f << " "; + for (auto f : v2sigma2_1) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_2: "; - for (auto f : v2sigma2_2) - std::cout << f << " "; + for (auto f : v2sigma2_2) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_3: "; - for (auto f : v2sigma2_3) - std::cout << f << " "; + for (auto f : v2sigma2_3) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_4: "; - for (auto f : v2sigma2_4) - std::cout << f << " "; + for (auto f : v2sigma2_4) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_5: "; - for (auto f : v2sigma2_5) - std::cout << f << " "; + for (auto f : v2sigma2_5) { + std::cout << f << " "; +} std::cout << std::endl; std::cout << "GGA V2Sigma2_6: "; - for (auto f : v2sigma2_6) - std::cout << f << " "; + for (auto f : v2sigma2_6) { + std::cout << f << " "; +} std::cout << std::endl; } @@ -693,278 +720,333 @@ LibxcInterface::~LibxcInterface() // Output results std::cout << "MGGA Exc: "; - for (auto e : exc) - std::cout << e << " "; + for (auto e : exc) { + std::cout << e << " "; +} std::cout << std::endl; std::cout << "MGGA VRho_1: "; - for (auto v : vrho_1) - std::cout << v << " "; + for (auto v : vrho_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VRho_2: "; - for (auto v : vrho_2) - std::cout << v << " "; + for (auto v : vrho_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VSigma_1: "; - for (auto v : vsigma_1) - std::cout << v << " "; + for (auto v : vsigma_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VSigma_2: "; - for (auto v : vsigma_2) - std::cout << v << " "; + for (auto v : vsigma_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VSigma_3: "; - for (auto v : vsigma_3) - std::cout << v << " "; + for (auto v : vsigma_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VLapl_1: "; - for (auto v : vlapl_1) - std::cout << v << " "; + for (auto v : vlapl_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VLapl_2: "; - for (auto v : vlapl_2) - std::cout << v << " "; + for (auto v : vlapl_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VTau_1: "; - for (auto v : vtau_1) - std::cout << v << " "; + for (auto v : vtau_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA VTau_2: "; - for (auto v : vtau_2) - std::cout << v << " "; + for (auto v : vtau_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Rho2_1: "; - for (auto v : v2rho2_1) - std::cout << v << " "; + for (auto v : v2rho2_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Rho2_2: "; - for (auto v : v2rho2_2) - std::cout << v << " "; + for (auto v : v2rho2_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Rho2_3: "; - for (auto v : v2rho2_3) - std::cout << v << " "; + for (auto v : v2rho2_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_1: "; - for (auto v : v2rhosigma_1) - std::cout << v << " "; + for (auto v : v2rhosigma_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_2: "; - for (auto v : v2rhosigma_2) - std::cout << v << " "; + for (auto v : v2rhosigma_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_3: "; - for (auto v : v2rhosigma_3) - std::cout << v << " "; + for (auto v : v2rhosigma_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_4: "; - for (auto v : v2rhosigma_4) - std::cout << v << " "; + for (auto v : v2rhosigma_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_5: "; - for (auto v : v2rhosigma_5) - std::cout << v << " "; + for (auto v : v2rhosigma_5) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoSigma_6: "; - for (auto v : v2rhosigma_6) - std::cout << v << " "; + for (auto v : v2rhosigma_6) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoLapl_1: "; - for (auto v : v2rholapl_1) - std::cout << v << " "; + for (auto v : v2rholapl_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoLapl_2: "; - for (auto v : v2rholapl_2) - std::cout << v << " "; + for (auto v : v2rholapl_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoLapl_3: "; - for (auto v : v2rholapl_3) - std::cout << v << " "; + for (auto v : v2rholapl_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoLapl_4: "; - for (auto v : v2rholapl_4) - std::cout << v << " "; + for (auto v : v2rholapl_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoTau_1: "; - for (auto v : v2rhotau_1) - std::cout << v << " "; + for (auto v : v2rhotau_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoTau_2: "; - for (auto v : v2rhotau_2) - std::cout << v << " "; + for (auto v : v2rhotau_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoTau_3: "; - for (auto v : v2rhotau_3) - std::cout << v << " "; + for (auto v : v2rhotau_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2RhoTau_4: "; - for (auto v : v2rhotau_4) - std::cout << v << " "; + for (auto v : v2rhotau_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_1: "; - for (auto v : v2sigma2_1) - std::cout << v << " "; + for (auto v : v2sigma2_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_2: "; - for (auto v : v2sigma2_2) - std::cout << v << " "; + for (auto v : v2sigma2_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_3: "; - for (auto v : v2sigma2_3) - std::cout << v << " "; + for (auto v : v2sigma2_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_4: "; - for (auto v : v2sigma2_4) - std::cout << v << " "; + for (auto v : v2sigma2_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_5: "; - for (auto v : v2sigma2_5) - std::cout << v << " "; + for (auto v : v2sigma2_5) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Sigma2_6: "; - for (auto v : v2sigma2_6) - std::cout << v << " "; + for (auto v : v2sigma2_6) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_1: "; - for (auto v : v2sigmalapl_1) - std::cout << v << " "; + for (auto v : v2sigmalapl_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_2: "; - for (auto v : v2sigmalapl_2) - std::cout << v << " "; + for (auto v : v2sigmalapl_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_3: "; - for (auto v : v2sigmalapl_3) - std::cout << v << " "; + for (auto v : v2sigmalapl_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_4: "; - for (auto v : v2sigmalapl_4) - std::cout << v << " "; + for (auto v : v2sigmalapl_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_5: "; - for (auto v : v2sigmalapl_5) - std::cout << v << " "; + for (auto v : v2sigmalapl_5) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaLapl_6: "; - for (auto v : v2sigmalapl_6) - std::cout << v << " "; + for (auto v : v2sigmalapl_6) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_1: "; - for (auto v : v2sigmatau_1) - std::cout << v << " "; + for (auto v : v2sigmatau_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_2: "; - for (auto v : v2sigmatau_2) - std::cout << v << " "; + for (auto v : v2sigmatau_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_3: "; - for (auto v : v2sigmatau_3) - std::cout << v << " "; + for (auto v : v2sigmatau_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_4: "; - for (auto v : v2sigmatau_4) - std::cout << v << " "; + for (auto v : v2sigmatau_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_5: "; - for (auto v : v2sigmatau_5) - std::cout << v << " "; + for (auto v : v2sigmatau_5) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2SigmaTau_6: "; - for (auto v : v2sigmatau_6) - std::cout << v << " "; + for (auto v : v2sigmatau_6) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Lapl2_1: "; - for (auto v : v2lapl2_1) - std::cout << v << " "; + for (auto v : v2lapl2_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Lapl2_2: "; - for (auto v : v2lapl2_2) - std::cout << v << " "; + for (auto v : v2lapl2_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Lapl2_3: "; - for (auto v : v2lapl2_3) - std::cout << v << " "; + for (auto v : v2lapl2_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2LaplTau_1: "; - for (auto v : v2lapltau_1) - std::cout << v << " "; + for (auto v : v2lapltau_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2LaplTau_2: "; - for (auto v : v2lapltau_2) - std::cout << v << " "; + for (auto v : v2lapltau_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2LaplTau_3: "; - for (auto v : v2lapltau_3) - std::cout << v << " "; + for (auto v : v2lapltau_3) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2LaplTau_4: "; - for (auto v : v2lapltau_4) - std::cout << v << " "; + for (auto v : v2lapltau_4) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Tau2_1: "; - for (auto v : v2tau2_1) - std::cout << v << " "; + for (auto v : v2tau2_1) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Tau2_2: "; - for (auto v : v2tau2_2) - std::cout << v << " "; + for (auto v : v2tau2_2) { + std::cout << v << " "; +} std::cout << std::endl; std::cout << "MGGA V2Tau2_3: "; - for (auto v : v2tau2_3) - std::cout << v << " "; + for (auto v : v2tau2_3) { + std::cout << v << " "; +} } diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp index 66503b8de4..c3f6b325cd 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp @@ -330,10 +330,12 @@ std::tuple XC_Functional_Li #endif for( int ir=0; ir Date: Tue, 12 Nov 2024 21:47:35 +0800 Subject: [PATCH 5/6] fix UT compilation with NCLibxc --- .../module_hamilt_general/module_xc/test/CMakeLists.txt | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/source/module_hamilt_general/module_xc/test/CMakeLists.txt b/source/module_hamilt_general/module_xc/test/CMakeLists.txt index 66cf5f9cb0..5f7c94c0a8 100644 --- a/source/module_hamilt_general/module_xc/test/CMakeLists.txt +++ b/source/module_hamilt_general/module_xc/test/CMakeLists.txt @@ -65,11 +65,18 @@ AddTest( ../xc_functional_libxc_wrapper_xc.cpp ../xc_functional_libxc_wrapper_gcxc.cpp ../xc_functional_libxc_wrapper_tauxc.cpp + ../NCLibxc/NCLibxc.cpp + ../NCLibxc/NCLibxc.h + ../NCLibxc/interface_to_libxc.cpp + ../NCLibxc/interface_to_libxc.h + ../NCLibxc/LebedevGrid.cpp + ../xc_functional_NCLibxc_gga.cpp ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp ../xc_functional_vxc.cpp ../xc_functional_libxc_vxc.cpp ../xc_functional_libxc_tools.cpp + ../../../module_base/blas_connector.cpp ../../../module_base/matrix.cpp ../../../module_base/memory.cpp @@ -79,4 +86,4 @@ AddTest( ../../../module_basis/module_pw/module_fft/fft_base.cpp ../../../module_basis/module_pw/module_fft/fft_bundle.cpp ../../../module_basis/module_pw/module_fft/fft_cpu.cpp -) \ No newline at end of file +) From 5c1f9148cb7ad137bb1b917b2f112076de5d18da Mon Sep 17 00:00:00 2001 From: jinzx10 Date: Wed, 13 Nov 2024 15:24:38 +0800 Subject: [PATCH 6/6] gga fixed --- .../module_xc/xc_functional_NCLibxc_gga.cpp | 32 +++++++++-- .../module_xc/xc_functional_vxc.cpp | 53 ++----------------- 2 files changed, 30 insertions(+), 55 deletions(-) diff --git a/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp index ba6ebca412..6438fb8ee8 100755 --- a/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_NCLibxc_gga.cpp @@ -167,9 +167,31 @@ void XC_Functional::postlibxc_gga(int xc_id, const std::vector& rho_up, XC_Functional::grad_dot( vec_div_H1.data(), div_div_H1.data(), chr->rhopw, tpiba); XC_Functional::grad_dot( vec_div_H2.data(), div_div_H2.data(), chr->rhopw, tpiba); XC_Functional::grad_dot( vec_div_H3.data(), div_div_H3.data(), chr->rhopw, tpiba); - - + std::vector> g_vsigma_1(chr->rhopw->npw); // temporary storage for a vector in reciprocal space + std::vector> g_vsigma_2(chr->rhopw->npw); // temporary storage for a vector in reciprocal space + std::vector> g_vsigma_3(chr->rhopw->npw); // temporary storage for a vector in reciprocal space + + std::vector> grad_vsigma_1(nrxx); + std::vector> grad_vsigma_2(nrxx); + std::vector> grad_vsigma_3(nrxx); + + chr->rhopw->real2recip(vsigma_1.data(), g_vsigma_1.data()); + XC_Functional::grad_rho(g_vsigma_1.data(), grad_vsigma_1.data(), chr->rhopw, tpiba); + chr->rhopw->real2recip(vsigma_2.data(), g_vsigma_2.data()); + XC_Functional::grad_rho(g_vsigma_2.data(), grad_vsigma_2.data(), chr->rhopw, tpiba); + chr->rhopw->real2recip(vsigma_3.data(), g_vsigma_3.data()); + XC_Functional::grad_rho(g_vsigma_3.data(), grad_vsigma_3.data(), chr->rhopw, tpiba); + + std::vector div_grad_vsigma_1(nrxx); + std::vector div_grad_vsigma_2(nrxx); + std::vector div_grad_vsigma_3(nrxx); + + XC_Functional::grad_dot( grad_vsigma_1.data(), div_grad_vsigma_1.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( grad_vsigma_2.data(), div_grad_vsigma_2.data(), chr->rhopw, tpiba); + XC_Functional::grad_dot( grad_vsigma_3.data(), div_grad_vsigma_3.data(), chr->rhopw, tpiba); + + e.resize(rho_up.size()); v1.resize(rho_up.size()); v2.resize(rho_down.size()); @@ -183,9 +205,9 @@ void XC_Functional::postlibxc_gga(int xc_id, const std::vector& rho_up, e[i] = exc[i] ; v1[i] = vrho_1[i]-div_hup[i] ; v2[i] = vrho_2[i]-div_hdn[i] ; - f1[i] = v2rho2_1[i]-2.0*div_h1[i]+div_div_H1[i] ; - f2[i] = v2rho2_2[i]-div_h2[i]+div_div_H2[i] ; - f3[i] = v2rho2_3[i]-2.0*div_h3[i]+div_div_H3[i] ; + f1[i] = v2rho2_1[i]-2.0*div_h1[i]+div_div_H1[i]-2.0*div_grad_vsigma_1[i] ; + f2[i] = v2rho2_2[i]-div_h2[i]+div_div_H2[i] - div_grad_vsigma_2[i] ; + f3[i] = v2rho2_3[i]-2.0*div_h3[i]+div_div_H3[i]-2.0*div_grad_vsigma_3[i] ; } } diff --git a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp index be91bd73ef..07db5a0011 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp @@ -116,7 +116,7 @@ std::tuple XC_Functional::v_xc( } } } - else if(PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 0) + else if(PARAM.inp.nspin == 4 && !PARAM.inp.multicolin) { //noncollinear case (Kubler's locally collinear) added by zhengdy #ifdef _OPENMP #pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) @@ -176,48 +176,11 @@ std::tuple XC_Functional::v_xc( }//end if // energy terms, local-density contributions - if (PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1 - && (func_type == 0 || func_type == 1) ) + if (PARAM.inp.nspin == 4 && PARAM.inp.multicolin) { // noncollinear case added by Xiaoyu Zhang, Peking University, 2024.10.02. multicollinear method for lda Since NCLibxc needs libxc, this part codes will not be used. std::cerr << "Error: Multi-collinear approach does not support running without Libxc." << std::endl; std::exit(EXIT_FAILURE); -// NCLibxc::print_NCLibxc(); -//#ifdef _OPENMP -//#pragma omp parallel for reduction(+:etxc) reduction(+:vtxc) -//#endif -// for(int ir = 0;ir n = {chr->rho[0][ir] + chr->rho_core[ir]}; -// std::vector mx = {chr->rho[1][ir]}; -// std::vector my = {chr->rho[2][ir]}; -// std::vector mz = {chr->rho[3][ir]}; -// double amag = sqrt( pow(chr->rho[1][ir],2) + pow(chr->rho[2][ir],2) + pow(chr->rho[3][ir],2) ); -// if (n[0] - amag <= 0.0) { //ensure the rhoup and rhodn to libxc are positive -// continue; -// } -// std::vector E_MC; -// std::vector V_MC; -// for(const int &id : func_id){ -// std::tie(E_MC, V_MC) = NCLibxc::lda_mc(id, n, mx, my, mz); -// exc = e2*E_MC[0]; -// v(0, ir) += std::real(e2*(V_MC[0][0][0]+V_MC[0][1][1])/two); -// v(1, ir) += std::real(e2*(V_MC[0][0][1]+V_MC[0][1][0])/two); -// v(2, ir) += std::real(e2*(V_MC[0][1][0]-V_MC[0][0][1])/twoi); -// v(3, ir) += std::real(e2*(V_MC[0][0][0]-V_MC[0][1][1])/two); -// etxc += exc * n[0]; -// vtxc += v(0, ir) * chr->rho[0][ir] + v(1, ir) * chr->rho[1][ir] + v(2, ir) * chr->rho[2][ir] + v(3, ir) * chr->rho[3][ir]; -// } -// } } @@ -227,17 +190,7 @@ std::tuple XC_Functional::v_xc( // the dummy variable dum contains gradient correction to stress // which is not used here std::vector dum; - if(PARAM.inp.nspin == 4 && PARAM.inp.multicolin == 1) { - if(func_type == 2 || func_type == 3) { - //NCLibxc::print_NCLibxc(); - } - if(func_type == 4 || func_type == 5) { - std::cerr << "Error: Multi-collinear approach hasn't support hybrid functioanl yet" << std::endl; - std::exit(EXIT_FAILURE); - } - } else { - gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum); - } + gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum); // parallel code : collect vtxc,etxc // mohan add 2008-06-01