Reference Functions read_vasp

read_vasp

read_vasp(filepath, debug_print=False)

Reads .vasp or POSCAR file and returns ABCMolecule instance.

Parameters:

• filepath (str) –

  Filename (if in current working directory) or absolute path or os.path.join(os.getcwd(),'filename.xyz')

Returns:

• ABCMolecule –

  ABCMolecule object with structure data from VASP file.