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NEO/epc: set negative rho_elec values to 0 Lint #171: Commit 25ac8b7 pushed by zc62
August 5, 2024 22:57 48s master
master
August 5, 2024 22:57 48s
NEO/epc: set negative rho_elec values to 0 CI #171: Commit 25ac8b7 pushed by zc62
August 5, 2024 22:57 57m 34s master
master
August 5, 2024 22:57 57m 34s
NEO/epc: set negative rho_elec values to 0 Lint #170: Pull request #11 opened by YuzheZhang98
August 5, 2024 22:56 52s YuzheZhang98:epc
YuzheZhang98:epc
August 5, 2024 22:56 52s
NEO/epc: set negative rho_elec values to 0 CI #170: Pull request #11 opened by YuzheZhang98
August 5, 2024 22:56 57m 29s YuzheZhang98:epc
YuzheZhang98:epc
August 5, 2024 22:56 57m 29s
MD: add a function to generate initial velocities CI #169: Commit 091d4c7 pushed by xu-xi
August 2, 2024 09:48 57m 58s master
master
August 2, 2024 09:48 57m 58s
MD: add a function to generate initial velocities Lint #169: Commit 091d4c7 pushed by xu-xi
August 2, 2024 09:48 50s master
master
August 2, 2024 09:48 50s
CNEO-HF: add an example on cherry-picking basis Lint #168: Commit e1a1fc4 pushed by zc62
June 13, 2024 19:54 48s master
master
June 13, 2024 19:54 48s
CNEO-HF: add an example on cherry-picking basis CI #168: Commit e1a1fc4 pushed by zc62
June 13, 2024 19:54 58m 6s master
master
June 13, 2024 19:54 58m 6s
CNEO-HF: add an example on cherry-picking basis Lint #167: Commit 2911670 pushed by zc62
June 13, 2024 19:02 48s master
master
June 13, 2024 19:02 48s
CNEO-HF: add an example on cherry-picking basis CI #167: Commit 2911670 pushed by zc62
June 13, 2024 19:02 56m 44s master
master
June 13, 2024 19:02 56m 44s
Merge remote-tracking branch 'pyscf/master' Lint #166: Commit 64c88bc pushed by zc62
May 10, 2024 21:40 49s master
master
May 10, 2024 21:40 49s
Merge remote-tracking branch 'pyscf/master' CI #166: Commit 64c88bc pushed by zc62
May 10, 2024 21:40 56m 49s master
master
May 10, 2024 21:40 56m 49s
CNEO-QM/MM: support pure point-charge model MM gradients Lint #165: Commit 28cabc6 pushed by zc62
April 24, 2024 19:33 50s master
master
April 24, 2024 19:33 50s
CNEO-QM/MM: support pure point-charge model MM gradients CI #165: Commit 28cabc6 pushed by zc62
April 24, 2024 19:33 1h 17m 24s master
master
April 24, 2024 19:33 1h 17m 24s
NEO: allow dashes/underscores in nuclear basis name Lint #164: Commit 2834675 pushed by zc62
April 11, 2024 22:59 48s master
master
April 11, 2024 22:59 48s
NEO: allow dashes/underscores in nuclear basis name CI #164: Commit 2834675 pushed by zc62
April 11, 2024 22:59 53m 34s master
master
April 11, 2024 22:59 53m 34s
CNEO Quantum Computing UCC and FCI CI #163: Commit d928ae3 pushed by zc62
March 1, 2024 21:22 53m 33s master
master
March 1, 2024 21:22 53m 33s
CNEO Quantum Computing UCC and FCI Lint #163: Commit d928ae3 pushed by zc62
March 1, 2024 21:22 48s master
master
March 1, 2024 21:22 48s
Merge remote-tracking branch 'pyscf/master' Lint #160: Commit 4d42c82 pushed by zc62
February 1, 2024 22:38 48s master
master
February 1, 2024 22:38 48s
Merge remote-tracking branch 'pyscf/master' CI #160: Commit 4d42c82 pushed by zc62
February 1, 2024 22:38 1h 0m 21s master
master
February 1, 2024 22:38 1h 0m 21s
Use master branch qcint instead of versions CI #159: Commit 1303f96 pushed by zc62
January 25, 2024 22:55 54m 57s master
master
January 25, 2024 22:55 54m 57s
Use master branch qcint instead of versions Lint #159: Commit 1303f96 pushed by zc62
January 25, 2024 22:55 45s master
master
January 25, 2024 22:55 45s
CNEO: add native DFTD support CI #158: Commit 13a4d5f pushed by zc62
January 23, 2024 23:43 51m 38s master
master
January 23, 2024 23:43 51m 38s
CNEO: add native DFTD support Lint #158: Commit 13a4d5f pushed by zc62
January 23, 2024 23:43 52s master
master
January 23, 2024 23:43 52s
ASE: check if provided dm0 (a dict) is a good initial guess CI #157: Pull request #9 opened by zheliu17
December 8, 2023 02:15 45m 10s zheliu17:master
zheliu17:master
December 8, 2023 02:15 45m 10s