Skip to content

A Fix-release for a spglib-related error

Latest
Latest
Compare
Choose a tag to compare
@sblisesivdin sblisesivdin released this 10 Jun 17:50
· 8 commits to main since this release
v24.6.1
7e8c436
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Learn about vigilant mode.

Because SPGlib dropped the ASE type Atoms object after version 2.2.0, gpawsolve.py gave an error. ASE will maintain the get_spacegroup() function call from now on. With this change, gpawsolve.py no longer requires the spglib package.

Assets 2
Loading
0 Join discussion