You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Right now the potential is very rigid, but there should be a series of calcfunctions to deal with making the potential magnetic, changing shapes (for slabs and situations like this). This calcfunction needs to be called at the workchain level if necessary.
Right now the potential is very rigid, but there should be a series of calcfunctions to deal with making the potential magnetic, changing shapes (for slabs and situations like this). This calcfunction needs to be called at the workchain level if necessary.
This function needs to be modified to work with the new potential data
https://github.com/JPchico/aiida-kkr/blob/develop_base_restart_workchains/aiida_kkr/tools/common_workfunctions.py#L932:L1105
The text was updated successfully, but these errors were encountered: