v0.6.3
What's Changed
New features
add NPT_I parser and for xTB
add mulliken spin parser for cp2k
add parsing md stress from output file
Bug Fixes: parse dipole files
Bug Fixes
Bug Fixes: fix error type in cell.py get_dv function
bug fixes: dipole.py
Other Changes
- Add Pytest for cp2kcell by @robinzyb in #25
- New update by @robinzyb in #29
- update doc for dpdata and modify version by @robinzyb in #30
Full Changelog: v0.6.2...v0.6.3