vpasumarthi/PyCD

Import POSCAR directly

Closed this issue 7 years ago · 0 comments

vpasumarthi commented 7 years ago

https://github.com/vpasumarthi/KineticModel/blob/2a0a0057f36d32befc003d04c2eee6fba2426d3c/SourceCode/KineticModel.py#L89-L92

Avoid elementTypeIndexList. Write readPOSCAR function and import directly from the POSCAR file.