Add unlabeled abacus STRU read/dump interface#303

Merged

wanghan-iapcm merged 10 commits into

deepmodeling:develfrom

Jun 13, 2022

Commits on Jun 8, 2022

adapt abacus/md interface to MD output without stress calculation.

LiuRenxi
authored and
LiuRenxi
committed

Commits on Jun 9, 2022

add unit test for abacus md without stress output.

LiuRenxi
authored and
LiuRenxi
committed
Add files via upload
Liu-RX
authored

Commits on Jun 10, 2022

add unlabeled read and dump interface for ABACUS STRU format.

LiuRenxi
authored and
LiuRenxi
committed

Commits on Jun 11, 2022

add assertion failed reason for abacus/md interface

LiuRenxi
authored and
LiuRenxi
committed
Merge branch 'deepmodeling:devel' into devel
Liu-RX
authored
Merge remote-tracking branch 'remotes/origin/devel' into devel

LiuRenxi
authored and
LiuRenxi
committed
fix open file method

LiuRenxi
authored and
LiuRenxi
committed
fix typo; introduce np.testing in abacus tests.

LiuRenxi
authored and
LiuRenxi
committed

Commits on Jun 12, 2022

remove useless if clause

LiuRenxi
authored and
LiuRenxi
committed