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smd gradient Lint #141: Commit 958efcc pushed by wxj6000
January 19, 2024 21:55 14s smd_grad_hess
smd_grad_hess
January 19, 2024 21:55 14s
Fix typos in test_uks.py Lint #140: Commit 730cd7a pushed by puzhichen
January 19, 2024 03:20 16s uks_dev
uks_dev
January 19, 2024 03:20 16s
Add the UKS and a unit test for it. Lint #139: Commit 910416f pushed by puzhichen
January 19, 2024 02:38 20s uks_dev
uks_dev
January 19, 2024 02:38 20s
Merge branch 'v0.6.17' of https://github.com/bytedance/gpu4pyscf into… Lint #138: Commit bea6772 pushed by wxj6000
January 18, 2024 08:11 18s v0.6.17
v0.6.17
January 18, 2024 08:11 18s
Merge branch 'master' into v0.6.17 Lint #137: Commit edef5bd pushed by wxj6000
January 18, 2024 08:03 17s v0.6.17
v0.6.17
January 18, 2024 08:03 17s
bugfix:v0.6.16 (#84) Lint #136: Commit 5f22de4 pushed by wxj6000
January 18, 2024 07:57 17s master
master
January 18, 2024 07:57 17s
fixed memory leak in dftd3, debug for A800 Lint #135: Commit e0e1dd6 pushed by wxj6000
January 18, 2024 07:56 19s v0.6.17
v0.6.17
January 18, 2024 07:56 19s
Merge branch 'master' into dftdx Lint #134: Commit 7ef2518 pushed by wxj6000
January 17, 2024 00:49 20s dftdx
dftdx
January 17, 2024 00:49 20s
memory leak in dftd3 and dft4 Lint #133: Commit beb05b9 pushed by wxj6000
January 17, 2024 00:47 16s dftdx
dftdx
January 17, 2024 00:47 16s
updated the script for building wheels Lint #132: Commit df70a65 pushed by wxj6000
January 16, 2024 21:20 19s dftdx
dftdx
January 16, 2024 21:20 19s
add dftd3 and dftd4 to __init__.py Lint #131: Commit 8abe3ea pushed by wxj6000
January 16, 2024 21:19 18s dftdx
dftdx
January 16, 2024 21:19 18s
resolve dependencies in dftd3 and dftd4 Lint #130: Commit ae22569 pushed by wxj6000
January 16, 2024 20:28 19s dftdx
dftdx
January 16, 2024 20:28 19s
remove package_data Lint #129: Commit 34c3c1d pushed by wxj6000
January 15, 2024 07:42 15s dftdx
dftdx
January 15, 2024 07:42 15s
new workflow for dftd3 and dftd4 Lint #128: Commit eb994dc pushed by wxj6000
January 15, 2024 07:26 21s dftdx
dftdx
January 15, 2024 07:26 21s
Reuse the _kernel in hf.py, and correct the unit test for UHF. Lint #127: Commit c4aee59 pushed by puzhichen
January 15, 2024 01:13 15s uks_dev
uks_dev
January 15, 2024 01:13 15s
updated cmake Lint #126: Commit 19743e1 pushed by wxj6000
January 13, 2024 06:04 23s dftdx
dftdx
January 13, 2024 06:04 23s
cmake workflow for dftd3 and dftd4 Lint #125: Commit 03979e7 pushed by wxj6000
January 12, 2024 21:56 13s dftdx
dftdx
January 12, 2024 21:56 13s
V0.6.15 (#80) Lint #124: Commit 19dc057 pushed by wxj6000
January 12, 2024 21:12 18s master
master
January 12, 2024 21:12 18s
Merge branch 'v0.6.15' of https://github.com/bytedance/gpu4pyscf into… Lint #123: Commit bcddd33 pushed by wxj6000
January 12, 2024 18:10 13s v0.6.15
v0.6.15
January 12, 2024 18:10 13s
Merge branch 'master' into v0.6.15 Lint #122: Commit 0e784f1 pushed by wxj6000
January 12, 2024 17:40 16s v0.6.15
v0.6.15
January 12, 2024 17:40 16s
optimized initialization Lint #121: Commit 86d449d pushed by wxj6000
January 12, 2024 17:32 15s v0.6.15
v0.6.15
January 12, 2024 17:32 15s
Add the UHF and unit test. Lint #120: Commit 9f42598 pushed by puzhichen
January 12, 2024 03:16 14s uks_dev
uks_dev
January 12, 2024 03:16 14s
release v0.6.13 Lint #119: Commit 02552c0 pushed by puzhichen
January 12, 2024 02:46 17s uks_dev
uks_dev
January 12, 2024 02:46 17s
Add files via upload Lint #118: Commit bbab8d1 pushed by puzhichen
January 12, 2024 02:46 14s uks_dev
uks_dev
January 12, 2024 02:46 14s
short example Lint #117: Commit f4e831d pushed by wxj6000
January 10, 2024 07:56 14s v0.6.15
v0.6.15
January 10, 2024 07:56 14s
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