v0.1.0

New features

• Support Gamma line (generalized stacking fault energy) calculations for BCC, FCC, and HCP.

Enhancements

• Interstitial calculations for FCC.
• User manual Readme file.

Contributors

@ZLI-afk @kevinwenminion

What's Changed

• fix hard-coded issue in post OPs by @ZLI-afk in #4
• add single step debug mode by @ZLI-afk in #7
• fix: revise key of Step to lowercase by @ZLI-afk in #10
• feat: add local debug mode by @ZLI-afk in #12
• fix: update function name of VASP.py meet API change of Pymatgen>=v20… by @ZLI-afk in #15
• update readme by @kevinwenminion in #19
• fix bug for eam/alloy by @kevinwenminion in #22
• docs by @ZLI-afk in #26
• support hcp structure for Gamma line calculation by @ZLI-afk in #28

Full Changelog: https://github.com/deepmodeling/APEX/commits/v0.1.0