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Support "mol.symmetry = 'SO3'" in Mole.build (Fix #1992) (#2709) CI #2893: Commit bee0ce2 pushed by sunqm
March 1, 2025 15:46 49m 16s master
master
March 1, 2025 15:46 49m 16s
Add example for ring CCD (fix #1149) CI #2892: Commit 7a441e0 pushed by sunqm
March 1, 2025 15:45 49m 19s master
master
March 1, 2025 15:45 49m 19s
fix a few typo in mcscf CI #2891: Commit 6f6d374 pushed by sunqm
February 24, 2025 14:44 49m 57s master
master
February 24, 2025 14:44 49m 57s
fix a few typos in mcscf CI #2890: Pull request #2716 opened by jeanwsr
February 24, 2025 13:16 50m 28s jeanwsr:mcscf-typo
jeanwsr:mcscf-typo
February 24, 2025 13:16 50m 28s
Symmetry detection bug due to np.round tolerance CI #2889: Pull request #2715 synchronize by sunqm
February 24, 2025 06:54 26m 20s sunqm:2713
sunqm:2713
February 24, 2025 06:54 26m 20s
Symmetry detection bug due to np.round tolerance CI #2888: Pull request #2715 opened by sunqm
February 23, 2025 18:22 49m 0s sunqm:2713
sunqm:2713
February 23, 2025 18:22 49m 0s
UCCSD with density fitting (#2712) CI #2887: Commit afdd09f pushed by sunqm
February 23, 2025 18:08 49m 16s master
master
February 23, 2025 18:08 49m 16s
UCCSD with density fitting CI #2886: Pull request #2712 synchronize by hczhai
February 17, 2025 15:16 49m 41s hczhai:df-uccsd
hczhai:df-uccsd
February 17, 2025 15:16 49m 41s
Support "mol.symmetry = 'SO3'" in Mole.build (Fix #1992) CI #2885: Pull request #2709 synchronize by sunqm
February 17, 2025 14:41 49m 20s sunqm:1992
sunqm:1992
February 17, 2025 14:41 49m 20s
UCCSD with density fitting CI #2884: Pull request #2712 opened by hczhai
February 16, 2025 22:31 49m 40s hczhai:df-uccsd
hczhai:df-uccsd
February 16, 2025 22:31 49m 40s
Various small fixes and updates (#2677) CI #2883: Commit 9253c88 pushed by sunqm
February 16, 2025 16:21 48m 58s master
master
February 16, 2025 16:21 48m 58s
Add example for ring CCD (fix #1149) CI #2882: Pull request #2710 opened by sunqm
February 16, 2025 16:01 48m 40s sunqm:1149
sunqm:1149
February 16, 2025 16:01 48m 40s
Support "mol.symmetry = 'SO3'" in Mole.build (Fix #1992) CI #2881: Pull request #2709 opened by sunqm
February 16, 2025 15:54 48m 26s sunqm:1992
sunqm:1992
February 16, 2025 15:54 48m 26s
Various small fixes and updates CI #2880: Pull request #2677 synchronize by sunqm
February 16, 2025 15:24 49m 39s sunqm:small-updates
sunqm:small-updates
February 16, 2025 15:24 49m 39s
twine==6.0.1 CI #2879: Commit 36d5967 pushed by sunqm
February 16, 2025 15:22 49m 25s master
master
February 16, 2025 15:22 49m 25s
Small fix to avoid crash in URPA for H atom and other systems with ze… CI #2878: Commit effc026 pushed by sunqm
February 16, 2025 15:21 49m 5s master
master
February 16, 2025 15:21 49m 5s
Small fix to avoid crash in URPA for H atom and other systems with ze… CI #2876: Pull request #2706 opened by EgorTrushin
February 14, 2025 14:30 49m 12s EgorTrushin:urpa_fix
EgorTrushin:urpa_fix
February 14, 2025 14:30 49m 12s
Fix twine version in the release pipeline CI #2875: Pull request #2693 opened by wxj6000
February 4, 2025 21:09 49m 1s wxj6000:patch-12
wxj6000:patch-12
February 4, 2025 21:09 49m 1s
Analytical PCM Hessian (#2691) CI #2874: Commit f2c2d3f pushed by sunqm
February 4, 2025 15:14 49m 13s master
master
February 4, 2025 15:14 49m 13s
Analytical PCM Hessian CI #2873: Pull request #2691 synchronize by henryw7
February 3, 2025 19:44 49m 29s henryw7:pcm_analytical_hessian
henryw7:pcm_analytical_hessian
February 3, 2025 19:44 49m 29s
Complex density matrices for DFHF (#2676) CI #2872: Commit fb281dd pushed by sunqm
February 2, 2025 19:32 48m 21s master
master
February 2, 2025 19:32 48m 21s
Bug fix in C-PCM and SS(V)PE gradient CI #2871: Commit b7d3ff6 pushed by sunqm
February 2, 2025 19:32 50m 30s master
master
February 2, 2025 19:32 50m 30s
Complex density matrices for DFHF CI #2870: Pull request #2676 synchronize by sunqm
February 1, 2025 15:26 48m 40s sunqm:2670
sunqm:2670
February 1, 2025 15:26 48m 40s
Fix dimension bug in spinor X2C code (#2611) CI #2869: Commit d34200c pushed by sunqm
February 1, 2025 14:42 49m 5s master
master
February 1, 2025 14:42 49m 5s
Analytical PCM Hessian CI #2868: Pull request #2691 opened by henryw7
January 31, 2025 04:37 48m 54s henryw7:pcm_analytical_hessian
henryw7:pcm_analytical_hessian
January 31, 2025 04:37 48m 54s