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enable SMD option in opt_driver (#196)
.github/workflows/github_actions.yml #388: Commit dd2367f pushed by wxj6000
August 20, 2024 22:00 Failure master
August 20, 2024 22:00 Failure
enable SMD in geo-opt driver
.github/workflows/github_actions.yml #387: Commit 6c97307 pushed by liuyu-chem1996
August 15, 2024 00:44 Failure grace/dft_driver
August 15, 2024 00:44 Failure
set thermo to False
.github/workflows/github_actions.yml #386: Commit 7712eb2 pushed by liuyu-chem1996
August 8, 2024 22:31 Failure grace/dft_driver
August 8, 2024 22:31 Failure
enable SMD and add e_solvent into results
.github/workflows/github_actions.yml #385: Commit 8db8cb0 pushed by liuyu-chem1996
August 8, 2024 22:29 Failure grace/dft_driver
August 8, 2024 22:29 Failure
Merge branch 'grace/dft_driver' of https://github.com/bytedance/gpu4p…
.github/workflows/github_actions.yml #384: Commit 0a2dc31 pushed by liuyu-chem1996
August 8, 2024 22:25 Failure grace/dft_driver
August 8, 2024 22:25 Failure
enable SMD and add e_solvent into results
.github/workflows/github_actions.yml #383: Commit 8db8cb0 pushed by wxj6000
August 7, 2024 18:22 Failure grace/dft_driver
August 7, 2024 18:22 Failure
update h.kernel() to one time usage
.github/workflows/github_actions.yml #382: Commit d0cb694 pushed by liuyu-chem1996
August 5, 2024 04:27 Failure grace/dft_driver
August 5, 2024 04:27 Failure
save
.github/workflows/github_actions.yml #381: Commit 0178955 pushed by liuyu-chem1996
August 2, 2024 21:55 Failure grace/dft_driver
August 2, 2024 21:55 Failure
correct mistake
.github/workflows/github_actions.yml #380: Commit 243b821 pushed by liuyu-chem1996
August 2, 2024 04:32 Failure grace/dft_driver
August 2, 2024 04:32 Failure
revise format
.github/workflows/github_actions.yml #379: Commit 3b5eccc pushed by liuyu-chem1996
August 1, 2024 04:07 Failure grace/dft_driver
August 1, 2024 04:07 Failure
revise format
.github/workflows/github_actions.yml #378: Commit db8d7a5 pushed by liuyu-chem1996
August 1, 2024 03:51 Failure grace/dft_driver
August 1, 2024 03:51 Failure
enable thermo calculation and save to h5
.github/workflows/github_actions.yml #377: Commit 58885c2 pushed by liuyu-chem1996
August 1, 2024 02:37 Failure grace/dft_driver
August 1, 2024 02:37 Failure
try to fix possible memory leak in libxc (#189)
.github/workflows/github_actions.yml #376: Commit 8fdfaa8 pushed by wxj6000
August 1, 2024 01:03 Failure master
August 1, 2024 01:03 Failure
release v0.8.2
.github/workflows/github_actions.yml #375: Commit 805f7c1 pushed by wxj6000
July 22, 2024 18:43 Failure master
July 22, 2024 18:43 Failure
update benchmark markdowns (#179)
.github/workflows/github_actions.yml #374: Commit c7914a2 pushed by lihao-bd
July 9, 2024 02:53 Failure master
July 9, 2024 02:53 Failure
Improve Krylov subspace solver in CPHF (#156)
.github/workflows/github_actions.yml #373: Commit 761f85f pushed by wxj6000
May 28, 2024 16:01 Failure master
May 28, 2024 16:01 Failure
Properties dev (#147)
.github/workflows/github_actions.yml #372: Commit 67ac50b pushed by wxj6000
May 16, 2024 20:04 Failure master
May 16, 2024 20:04 Failure
Fix some instandard codes.
.github/workflows/github_actions.yml #371: Commit 7df9951 pushed by puzhichen
May 13, 2024 08:21 Failure properties_dev
May 13, 2024 08:21 Failure
v0.7.7
.github/workflows/github_actions.yml #370: Commit 022879a pushed by wxj6000
May 13, 2024 05:20 Failure fix-warning
May 13, 2024 05:20 Failure
added disp_with_3body into keys
.github/workflows/github_actions.yml #369: Commit 2ed5509 pushed by wxj6000
May 13, 2024 05:12 Failure fix-warning
May 13, 2024 05:12 Failure
efficient PCM model (#150)
.github/workflows/github_actions.yml #368: Commit c4fba3c pushed by wxj6000
May 13, 2024 04:58 Failure master
May 13, 2024 04:58 Failure
efficient PCM model (#150)
.github/workflows/github_actions.yml #367: Commit c4fba3c pushed by wxj6000
May 13, 2024 04:57 Failure master
May 13, 2024 04:57 Failure
fixed bug in pcm model
.github/workflows/github_actions.yml #366: Commit e7b3a3a pushed by wxj6000
May 12, 2024 14:40 Failure improve-pcm
May 12, 2024 14:40 Failure
improve pcm cuda code
.github/workflows/github_actions.yml #365: Commit 1f1d3cb pushed by wxj6000
May 11, 2024 03:09 Failure improve-pcm
May 11, 2024 03:09 Failure
pcm_d_s.cu -> pcm.cu
.github/workflows/github_actions.yml #364: Commit 7e962ae pushed by wxj6000
May 11, 2024 01:19 Failure improve-pcm
May 11, 2024 01:19 Failure