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v0.6.3

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@robinzyb robinzyb released this 13 Dec 20:15
· 107 commits to main since this release
9d2941f

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

Full Changelog: v0.6.2...v0.6.3