Open bernstei opened 1 year ago
Looks like all the machine learning potential wfl eval * functions are missing the context function argument, e.g. https://github.com/libAtoms/workflow/blob/main/wfl/cli/commands/eval.py#L45
wfl eval *
I guess we can use a pytest of wfl eval.
wfl eval
Looks like all the machine learning potential
wfl eval *
functions are missing the context function argument, e.g. https://github.com/libAtoms/workflow/blob/main/wfl/cli/commands/eval.py#L45