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37 Open 116 Closed
37 Open 116 Closed
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Issues list

SAD guess producing wrong results bug Something isn't working
#400 opened Feb 20, 2025 by agoetz
@Madu86
Update SAD guess files added after release of QUICK-21.03 bug Something isn't working
#399 opened Feb 20, 2025 by agoetz QUICK-25.03
@agoetz
QUICK-25.03 Release Checklist
#395 opened Feb 19, 2025 by ohearnk
10 tasks
QUICK-25.03
API not compatible with free energy calculation enhancement New feature or request
#392 opened Feb 3, 2025 by lizhen62017
1
GNU compiler flags broken for MacOS 15 with Apple silicon bug Something isn't working
#391 opened Jan 30, 2025 by agoetz QUICK-25.03
@agoetz
2
How to enable restart/resume option. Complete documentation?
#387 opened Nov 22, 2024 by crtag
1
How to interprete QUICK results
#386 opened Nov 19, 2024 by medchemunipr
SAD guess files for first row transition metals missing for some basis sets enhancement New feature or request
#385 opened Nov 13, 2024 by agoetz QUICK-25.03
@agoetz @akhilshajan
Uniform electric field support enhancement New feature or request
#379 opened Aug 28, 2024 by agoetz
HIP and MPI+HIP builds broken since adding f-function support (PR #312) bug Something isn't working
#344 opened Mar 16, 2024 by ohearnk QUICK-25.03
1
@ohearnk
CMake cleans all MPI flags before build
#343 opened Mar 15, 2024 by njzjz
11
CI tests fail when compiled with OneAPI compilers bug Something isn't working
#327 opened Mar 8, 2024 by Madu86 QUICK-25.03
@ohearnk
3
Update Fortran MPI support Code cleanup Code cleanup or refactoring
#316 opened Feb 29, 2024 by agoetz QUICK-25.03
1
@agoetz @ohearnk
3
Freeze Atoms Positions During Optimization enhancement New feature or request
#306 opened Jan 31, 2024 by RiesBen
@akhilshajan
5
QUICK on Perlmutter (NERSC)
#303 opened Jan 3, 2024 by JorgeG94
DFT energy of single atom no convergence
#301 opened Nov 30, 2023 by euhruska
Printing issue in geometry optimization bug Something isn't working
#296 opened Sep 18, 2023 by Madu86
@akhilshajan
Basis set superposition error? enhancement New feature or request
#291 opened Jul 11, 2023 by ProkopHapala
2
Improve gradient printout enhancement New feature or request
#283 opened Feb 20, 2023 by agoetz QUICK-25.03
1
@agoetz @Madu86 @akhilshajan
5
Geometry optimization fails in multi-GPU version bug Something isn't working
#281 opened Feb 19, 2023 by Madu86
@akhilshajan
6
Add options for initial guess and refactor SCF convergence algorithms Code cleanup Code cleanup or refactoring enhancement New feature or request
#277 opened Feb 10, 2023 by agoetz
@agoetz @Madu86
Isotope and dispersion correction enhancement New feature or request
#276 opened Jan 16, 2023 by sgervasoni
@akhilshajan
1
request for variable numbers of atoms for QM calculations (in quick_api_module) enhancement New feature or request
#275 opened Dec 11, 2022 by akashpg1996
8
How to get electrostatic field at specific points? enhancement New feature or request
#267 opened Oct 29, 2022 by aizvorski
1
MP2 documentation
#266 opened Oct 21, 2022 by q-posev
1
ProTip! no:milestone will show everything without a milestone.