Skip to content

v0.6.4
Compare
Choose a tag to compare
@robinzyb robinzyb released this 01 Feb 17:38
· 88 commits to main since this release
v0.6.4
f9299f4
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Learn about vigilant mode.

What's Changed

Enhancements

  • Update release.yml for release note automation by @robinzyb in #32
  • Add support for NPT_F AIMD of cp2k version 7.1 by @robinzyb in #33
  • Add precommit config and fix problems by @robinzyb in #35
  • Enhancement: change the constraint for pav in cp2kcube by @robinzyb in #37

Bug Fixes

  • bug fixes: fix test workflow python version 3.9 and 3.10 in github actions by @robinzyb in #31
  • Bug Fixes: virial should be stress multiplied by volume. by @robinzyb in #38

Other Changes

Full Changelog: v0.6.3...v0.6.4

Contributors

robinzyb
Assets 2
Loading