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[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #110: Commit 1b093d1 pushed by pre-commit-ci bot
February 11, 2025 08:28 2s stru
February 11, 2025 08:28 2s
add UT
Publish Python distributions to PyPI #109: Commit 48fa29e pushed by pxlxingliang
February 11, 2025 08:24 3s stru
February 11, 2025 08:24 3s
refactor: move read and write abacus/stru in a single file stru.py
Publish Python distributions to PyPI #108: Commit 9d63775 pushed by pxlxingliang
February 11, 2025 08:07 3s stru
February 11, 2025 08:07 3s
Merge branch 'spin' of https://github.com/pxlxingliang/dpdata into spin
Publish Python distributions to PyPI #107: Commit 28a758c pushed by pxlxingliang
November 25, 2024 07:25 3s spin
November 25, 2024 07:25 3s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #106: Commit 8bd1f99 pushed by pre-commit-ci bot
November 25, 2024 06:19 2s spin
November 25, 2024 06:19 2s
fix test
Publish Python distributions to PyPI #105: Commit 83769e9 pushed by pxlxingliang
November 25, 2024 06:17 2s spin
November 25, 2024 06:17 2s
abacus: fix bug in reading nspin2 results
Publish Python distributions to PyPI #104: Commit ba4cb93 pushed by pxlxingliang
November 25, 2024 06:15 3s spin
November 25, 2024 06:15 3s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #103: Commit aaa12e6 pushed by pre-commit-ci bot
November 8, 2024 04:59 1s abacus-pp
November 8, 2024 04:59 1s
Merge branch 'abacus-pp' of https://github.com/pxlxingliang/dpdata in…
Publish Python distributions to PyPI #102: Commit da7b908 pushed by pxlxingliang
November 8, 2024 04:59 2s abacus-pp
November 8, 2024 04:59 2s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #101: Commit 50c138e pushed by pre-commit-ci bot
November 8, 2024 02:28 2s abacus-pp
November 8, 2024 02:28 2s
Adjust pp_file as an unnessary parameter in save to abacus/stru
Publish Python distributions to PyPI #100: Commit e623b91 pushed by pxlxingliang
November 8, 2024 02:26 2s abacus-pp
November 8, 2024 02:26 2s
fix
Publish Python distributions to PyPI #99: Commit 35e0d83 pushed by pxlxingliang
November 6, 2024 06:52 2s stru-spin
November 6, 2024 06:52 2s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #98: Commit 222148f pushed by pre-commit-ci bot
November 5, 2024 07:56 2s stru-spin
November 5, 2024 07:56 2s
add test
Publish Python distributions to PyPI #97: Commit 46592e9 pushed by pxlxingliang
November 5, 2024 07:54 2s stru-spin
November 5, 2024 07:54 2s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #96: Commit b8c454c pushed by pre-commit-ci bot
November 5, 2024 07:42 2s force_mag
November 5, 2024 07:42 2s
add example
Publish Python distributions to PyPI #95: Commit ff2ede6 pushed by pxlxingliang
November 5, 2024 07:40 2s force_mag
November 5, 2024 07:40 2s
add spin information in deepmd
Publish Python distributions to PyPI #94: Commit 85de2ea pushed by pxlxingliang
November 5, 2024 07:35 3s force_mag
November 5, 2024 07:35 3s
abacus: add spin information for fmt=abacus/stru
Publish Python distributions to PyPI #93: Commit cf29c0e pushed by pxlxingliang
November 5, 2024 06:24 2s stru-spin
November 5, 2024 06:24 2s
fix bug in abacus/scf move
Publish Python distributions to PyPI #92: Commit 1354e59 pushed by pxlxingliang
November 5, 2024 01:29 2s aba
aba
November 5, 2024 01:29 2s
fix bug in abaus/scf
Publish Python distributions to PyPI #91: Commit 8d72c08 pushed by pxlxingliang
November 5, 2024 01:25 3s aba
aba
November 5, 2024 01:25 3s
register spin in deepmd
Publish Python distributions to PyPI #90: Commit c3bf5bd pushed by pxlxingliang
November 4, 2024 14:19 3s aba
aba
November 4, 2024 14:19 3s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #89: Commit ef386da pushed by pre-commit-ci bot
October 23, 2024 09:34 2s lmp-spin
October 23, 2024 09:34 2s
Merge branch 'lmp-spin' of https://github.com/pxlxingliang/dpdata int…
Publish Python distributions to PyPI #88: Commit 4c2656c pushed by pxlxingliang
October 23, 2024 09:34 3s lmp-spin
October 23, 2024 09:34 3s
[pre-commit.ci] auto fixes from pre-commit.com hooks
Publish Python distributions to PyPI #87: Commit 1c758bd pushed by pre-commit-ci bot
October 22, 2024 02:09 2s lmp-spin
October 22, 2024 02:09 2s
add UT
Publish Python distributions to PyPI #86: Commit 0a1bb76 pushed by pxlxingliang
October 22, 2024 02:09 3s lmp-spin
October 22, 2024 02:09 3s