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Analytical PCM righthand side of CPHF, analytic derivative of V_ia(q)… self hosted CI #69: Commit 9b694fa pushed by henryw7
January 9, 2025 23:51 1d 13h 18m 47s master
master
January 9, 2025 23:51 1d 13h 18m 47s
Add pickle serialization (#294) self hosted CI #68: Commit 177fb05 pushed by henryw7
January 2, 2025 21:14 1d 2h 9m 30s master
master
January 2, 2025 21:14 1d 2h 9m 30s
C-PCM righthand side of CPHF, analytic derivative of V_munu(q), trash… self hosted CI #67: Commit 0a38f40 pushed by henryw7
January 2, 2025 21:10 1d 2h 13m 43s master
master
January 2, 2025 21:10 1d 2h 13m 43s
Add pickle serialization (#294) self hosted CI #66: Commit 177fb05 pushed by henryw7
December 30, 2024 22:04 1d 1h 20m 23s master
master
December 30, 2024 22:04 1d 1h 20m 23s
Fix numerical instability in complex-valued TDHF diagonalization (#288) self hosted CI #65: Commit cb55121 pushed by henryw7
December 17, 2024 22:09 1d 1h 15m 28s master
master
December 17, 2024 22:09 1d 1h 15m 28s
CI on multi-GPU runner (#285) self hosted CI #64: Commit 031089d pushed by henryw7
December 16, 2024 18:35 1d 4h 49m 21s master
master
December 16, 2024 18:35 1d 4h 49m 21s
Optimize hessian (#265) self hosted CI #63: Commit 010ca2d pushed by henryw7
December 12, 2024 19:11 1d 4h 13m 17s master
master
December 12, 2024 19:11 1d 4h 13m 17s
Block unused PCM hessian code self hosted CI #62: Pull request #5 opened by henryw7
December 6, 2024 01:45 1d 11h 24m 48s block_unused_pcm_code
block_unused_pcm_code
December 6, 2024 01:45 1d 11h 24m 48s
Guassian charge support for one electron integral (#266) self hosted CI #61: Commit b7de164 pushed by henryw7
December 5, 2024 20:00 1d 3h 23m 45s master
master
December 5, 2024 20:00 1d 3h 23m 45s
Clean up one electron integral python code according to new conventio… self hosted CI #60: Commit 28323a5 pushed by henryw7
December 4, 2024 19:22 1d 4h 2m 27s master
master
December 4, 2024 19:22 1d 4h 2m 27s
Customize grids for CPHF (#244) self hosted CI #59: Commit 867c5b8 pushed by henryw7
November 14, 2024 07:44 1d 5h 25m 44s master
master
November 14, 2024 07:44 1d 5h 25m 44s
bugfix: error in int2c2e (#212) self hosted CI #58: Commit aa533f6 pushed by henryw7
September 24, 2024 00:00 1d 13h 9m 36s master
master
September 24, 2024 00:00 1d 13h 9m 36s
release v1.0.2 (#206) self hosted CI #57: Commit e07f094 pushed by henryw7
September 13, 2024 23:35 1d 13h 35m 2s master
master
September 13, 2024 23:35 1d 13h 35m 2s
Bugfix: save density when spin unrestricted (#205) self hosted CI #56: Commit 081d7bb pushed by wxj6000
August 30, 2024 23:07 1d 0h 16m 44s master
master
August 30, 2024 23:07 1d 0h 16m 44s
enable SMD option in opt_driver (#196) self hosted CI #55: Commit dd2367f pushed by wxj6000
August 20, 2024 22:00 1d 1h 24m 6s master
master
August 20, 2024 22:00 1d 1h 24m 6s
try to fix possible memory leak in libxc (#189) self hosted CI #54: Commit 8fdfaa8 pushed by wxj6000
August 1, 2024 01:03 1d 12h 6m 39s master
master
August 1, 2024 01:03 1d 12h 6m 39s
release v0.8.2 self hosted CI #53: Commit 805f7c1 pushed by wxj6000
July 22, 2024 18:43 1d 4h 41m 8s master
master
July 22, 2024 18:43 1d 4h 41m 8s
update benchmark markdowns (#179) self hosted CI #52: Commit c7914a2 pushed by lihao-bd
July 9, 2024 02:53 1d 10h 17m 0s master
master
July 9, 2024 02:53 1d 10h 17m 0s
Improve Krylov subspace solver in CPHF (#156) self hosted CI #51: Commit 761f85f pushed by wxj6000
May 28, 2024 16:01 1d 7h 22m 48s master
master
May 28, 2024 16:01 1d 7h 22m 48s
Properties dev (#147) self hosted CI #50: Commit 67ac50b pushed by wxj6000
May 16, 2024 20:04 1d 3h 19m 33s master
master
May 16, 2024 20:04 1d 3h 19m 33s
efficient PCM model (#150) self hosted CI #49: Commit c4fba3c pushed by wxj6000
May 13, 2024 04:57 1d 8h 13m 23s master
master
May 13, 2024 04:57 1d 8h 13m 23s
Align setups with pyscf (#146) self hosted CI #48: Commit 0509a00 pushed by wxj6000
May 8, 2024 23:49 1d 13h 21m 9s master
master
May 8, 2024 23:49 1d 13h 21m 9s
fixed df class names (#145) self hosted CI #47: Commit 05d4521 pushed by wxj6000
May 6, 2024 17:08 1d 6h 16m 2s master
master
May 6, 2024 17:08 1d 6h 16m 2s
added badges in README.md self hosted CI #46: Commit 31b19fa pushed by wxj6000
April 24, 2024 20:27 1d 2h 57m 6s master
master
April 24, 2024 20:27 1d 2h 57m 6s
replace cart2sph with cuda kernel (#137) self hosted CI #45: Commit 6047760 pushed by wxj6000
April 13, 2024 03:48 1d 16h 49m 20s master
master
April 13, 2024 03:48 1d 16h 49m 20s