Weekly Progress of DP-GEN 20221114

[HuangJiameng]

What's new

• check data instead of tasks #1031
• add arguments for lammps revise_template #1015
• refactor readme and remove some duplicated contents #946
• docs: init_surf forward_files #1025

Issue

• Dpgen cannot be installed #1026
  If you find ModuleNotFoundError: No module named 'pymatgen.analysis.defects while installing DP-GEN, you may have to install the latest DP-GEN on devel branch or downgrade pymatgen to e.g. 2019.1.13, 2019.7.30. This is caused by a breaking change in pymatgen. We have fixed the problem on the devel branch and it will be released in future.
• Problems with dpgen simplify #1029
  Fixed by check data instead of tasks #1031

Discussion

• A question about the file param.json of dpgen. #1028
• "gaussian" in dpgen simplify #1024

Dependency

dpdata

support max_steps for ase minimizer
remove duplicated rot_lower_triangular