Branches - deepmodeling/dpdata - CodSpeed

Blog Docs Changelog

140 total

-1%

[pre-commit.ci] pre-commit autoupdate#972

3 days ago

8e7ae4e

pre-commit-ci-update-config

+1%

build: replace openbabel-wheel with openbabel#974

8 days ago

e0de7b9

njzjz-bot:openbabel-3.2

+23%

refact: refactor format backends into dpdata.formats#970

28 days ago

d6252fc

njzjz-bot:oc-fix-pr-946-ci

-1%

feat: support nonorthogonal AMBER cells#971

1 month ago

0163ace

njzjz-bot:fix/amber-nonorthogonal-cells

0%

feat: support zero-count elements in type_map for sort_atom_names#912

1 month ago

25969b0

SchrodingersCattt:enhance/type-map-handling

0%

Improve robustness of `openmx/md` cell parsing and support new output format#967

2 months ago

a290ae4

shigeandtomo:openmx-fix

-2%

fix(rdkit): avoid deprecated explicit valence API#969

2 months ago

53ce12e

njzjz-bot:fix/issue-968

0%

docs: fix spelling typos in system guides#966

2 months ago

687d4ec

njzjz-bothub:docs/fix-spelling-typos

+2%

build(pyproject): adopt PEP 639 license metadata#964

2 months ago

9bf47c5

njzjz-bothub:openclaw/pep639-license

0%

feat(lammps): generate masses for lammps/lmp export#963

2 months ago

9e33657

njzjz-bothub:feat/lammps-lmp-generate-masses

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