Merge devel into master#426

Merged

amcadmus merged 21 commits intodeepmodeling:masterfrom

amcadmus:master

Feb 28, 2023

Commits on Dec 15, 2022

Merge master into devel (#396)
amcadmus
authored

Commits on Dec 19, 2022

gaussian: support PBC (#397)
njzjz
authored

Commits on Dec 21, 2022

fix pass action (#400)
njzjz
authored

Commits on Dec 22, 2022

Commits on Dec 25, 2022

docs: update installation commands (#403)
njzjz
authored

Commits on Jan 5, 2023

Fix(abacus): add judgment on the existence of INPUT/running_scf.log/STRU files in abacus/scf (#405)
pxlxingliang
authored

Commits on Jan 12, 2023

accept np.ndarray as index (#407)
njzjz
authored

Commits on Jan 20, 2023

Fix(abacus/relax): refactor the read of results from log file (#409)
pxlxingliang
authored

Commits on Jan 25, 2023

Commits on Jan 27, 2023

format Python codes in docs (#414)
njzjz
authored

Commits on Jan 29, 2023

pin parmed version for py37 (#416)
njzjz
authored

Commits on Jan 31, 2023

Commits on Feb 3, 2023

Commits on Feb 5, 2023

follow the numpydoc style guide (#420)
njzjz
authored

Commits on Feb 23, 2023

Add support for 'deepmd/mixed' format with dpdata.MultiSystems (#422)

iProzd
and
pre-commit-ci[bot]
authored

Commits on Feb 24, 2023

Correct the headers in README.md (#424)
iProzd
authored

Commits on Feb 25, 2023

fix: standardize the deepmd/npy/mixed format (#425)

iProzd
and
pre-commit-ci[bot]
authored