Dear all, I’m using ase 3.20.1 and it is saying there is no directory tag for Vasp calculator. Is it a bug or it is not in 3.20.1, I cannot update ase in my university cluster. That directory tag is very helpful, is there any way to add some thing in source code which is already in my cluster.
Thanks in advance
Hi, harishpvv:
There should be a directory keyword argument in the Vasp calculator. My advice here is to ask your cluster admin to update the ase version or to install a local ase for you. If you want to add it manually, you could view the source code of ase.calculators and ase.calculators.vasp at the gitlab repo of the ase, but I have to remind you that the fixing might not be straight forward and reinstallation should be a easier way.