merge devel into master#363

Merged

amcadmus merged 14 commits intodeepmodeling:masterfrom

amcadmus:master

Oct 3, 2022

Commits on Aug 3, 2022

Merge pull request #337 from amcadmus/devel
amcadmus
authored

Commits on Aug 12, 2022

replace deprecated np.int by int (#340)
njzjz
authored

Commits on Aug 13, 2022

fix: transfer coords[-1] to numpy type in relax.py:`get_coords_from_log()` (#343)
pxlxingliang
authored

Commits on Aug 14, 2022

docs: add authors section for credits (#345)
njzjz
authored

Commits on Aug 17, 2022

add unwrap support for lammps dump (#339)
zezhong-zhang
authored

Commits on Aug 19, 2022

Update output.py (#346)
wankiwi
authored

Commits on Aug 31, 2022

fix DataError message (#351)
njzjz
authored

Commits on Sep 1, 2022

find the line index of viral in OUTCAR (#352)
HuangJiameng
authored

Commits on Sep 7, 2022

add option to ignore convergence check for `vasp/contcar` (#355)
panxiang126
authored

Commits on Sep 26, 2022

3dmol format for visualization in jupyter (#357)
njzjz
authored

Commits on Sep 27, 2022

bugfix: add pbc information from ase atoms (#358)
njzjz
authored

Commits on Sep 29, 2022

add Minimizer plugin and System.minimize method (#304)
njzjz
authored

Commits on Oct 3, 2022