StrainMutation fixed cell vectors bugfix (!2499) · Merge requests · ase / ase

You need to sign in or sign up before continuing.

Maxime Van den Bossche requested to merge mvdb/ase:strainmut-cellvec-bugfix into master Sep 05, 2021

Closes #958 (closed). This fix ensures that the fixed cell vectors are not modified when applying a StrainMutation. While I'm at it, I have also added a check for the volume of the 'mutated' cell.

StrainMutation fixed cell vectors bugfix

Merge request reports