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Merge branch 'master' into mep_integral
.github/workflows/github_actions.yml #413: Commit b7aa005 pushed by wxj6000
December 4, 2024 03:43 Failure mep_integral
December 4, 2024 03:43 Failure
bugfix in xc_deriv2
.github/workflows/github_actions.yml #412: Commit 03d3044 pushed by wxj6000
December 3, 2024 18:32 Failure mep_integral
December 3, 2024 18:32 Failure
Support reuse VHFOpt, cleanup tests, return cupy instead of numpy arr…
.github/workflows/github_actions.yml #411: Commit 2f21fbe pushed by henryw7
December 2, 2024 23:05 Failure mep_integral
December 2, 2024 23:05 Failure
Clean up according to new convention
.github/workflows/github_actions.yml #410: Commit 6a5d260 pushed by henryw7
December 2, 2024 21:13 Failure mep_integral
December 2, 2024 21:13 Failure
Small improvement
.github/workflows/github_actions.yml #409: Commit 5926a40 pushed by henryw7
November 27, 2024 23:58 Failure mep_integral
November 27, 2024 23:58 Failure
Add one electron integral with charge contraction
.github/workflows/github_actions.yml #408: Commit 6ed4dd0 pushed by henryw7
November 27, 2024 22:47 Failure mep_integral
November 27, 2024 22:47 Failure
Applied the suggested changes to: long range omega treatment, bpcache…
.github/workflows/github_actions.yml #407: Commit 4c3a018 pushed by henryw7
November 26, 2024 01:48 Failure mep_integral
November 26, 2024 01:48 Failure
Fix linter error, update license comments
.github/workflows/github_actions.yml #406: Commit 18654b9 pushed by henryw7
November 22, 2024 00:07 Failure mep_integral
November 22, 2024 00:07 Failure
Bug fix in long range integral, add tests
.github/workflows/github_actions.yml #405: Commit 78cfa1f pushed by henryw7
November 21, 2024 23:40 Failure mep_integral
November 21, 2024 23:40 Failure
Fix merge bug
.github/workflows/github_actions.yml #404: Commit 19b7556 pushed by henryw7
November 21, 2024 05:44 Failure mep_integral
November 21, 2024 05:44 Failure
Merge branch 'master' into mep_integral
.github/workflows/github_actions.yml #403: Commit 74c2bf2 pushed by henryw7
November 21, 2024 05:35 Failure mep_integral
November 21, 2024 05:35 Failure
The logger line is clearly never called
.github/workflows/github_actions.yml #402: Commit 61dd82b pushed by henryw7
November 14, 2024 07:55 Failure fake_convergance_check
November 14, 2024 07:55 Failure
small bug fix
.github/workflows/github_actions.yml #401: Commit 75323a0 pushed by henryw7
November 14, 2024 07:47 Failure fake_convergance_check
November 14, 2024 07:47 Failure
Customize grids for CPHF (#244)
.github/workflows/github_actions.yml #400: Commit 867c5b8 pushed by henryw7
November 14, 2024 07:44 Failure master
November 14, 2024 07:44 Failure
Small cleanup, add a test
.github/workflows/github_actions.yml #399: Commit c39d85b pushed by henryw7
September 25, 2024 22:00 Failure direct_scf_mix_precision_trial
September 25, 2024 22:00 Failure
bugfix: error in int2c2e (#212)
.github/workflows/github_actions.yml #398: Commit aa533f6 pushed by henryw7
September 24, 2024 00:00 Failure master
September 24, 2024 00:00 Failure
release v1.0.2 (#206)
.github/workflows/github_actions.yml #397: Commit e07f094 pushed by henryw7
September 13, 2024 23:35 Failure master
September 13, 2024 23:35 Failure
Add comment about tight thresholds
.github/workflows/github_actions.yml #396: Commit 1ff6511 pushed by henryw7
September 3, 2024 18:35 Failure chkfile_support
September 3, 2024 18:35 Failure
Bugfix: save density when spin unrestricted (#205)
.github/workflows/github_actions.yml #395: Commit 081d7bb pushed by wxj6000
August 30, 2024 23:07 Failure master
August 30, 2024 23:07 Failure
Fix small errors according to lint
.github/workflows/github_actions.yml #394: Commit 2e91874 pushed by henryw7
August 30, 2024 17:59 Failure chkfile_support
August 30, 2024 17:59 Failure
Accidentally pushed default settings
.github/workflows/github_actions.yml #393: Commit 65f936d pushed by henryw7
August 30, 2024 03:35 Failure chkfile_support
August 30, 2024 03:35 Failure
Turn off chkfile by default
.github/workflows/github_actions.yml #392: Commit ebaaa3a pushed by henryw7
August 30, 2024 03:32 Failure chkfile_support
August 30, 2024 03:32 Failure
Add cupy installation guide for developer installation instructions
.github/workflows/github_actions.yml #391: Commit b7cbbac pushed by henryw7
August 30, 2024 00:02 Failure update_readme_for_dev
August 30, 2024 00:02 Failure
Add chkfile support for pysisyphus
.github/workflows/github_actions.yml #390: Commit 5358a82 pushed by henryw7
August 29, 2024 23:50 Failure chkfile_support
August 29, 2024 23:50 Failure
Change input variables of direct SCF from random access to aligned ac…
.github/workflows/github_actions.yml #389: Commit d489cf9 pushed by henryw7
August 20, 2024 22:25 Failure single_precision_direct_scf_test
August 20, 2024 22:25 Failure