materialsproject / atomate2

atomate2 is a library of computational materials science workflows

https://materialsproject.github.io/atomate2/

Other

156 stars 88 forks source link

Open naik-aakash opened 1 week ago

naik-aakash commented 1 week ago

Changes

Update phonopy version

[ ] Investigate what cause the change in gruneisen parameter value leading to failure test