AtomsFile
- class ase2sprkkr.asr.core.types.AtomsFile(must_exist=True, *args, **kwargs)[source]
Read atoms object from filename and return Atoms object.
Class hierarchy
Constructor
- __init__(must_exist=True, *args, **kwargs)[source]
Initialize AtomsFile object.
- Parameters:
must_exist (bool) – If False, errors relating to empty or missing files will be ignored and the returned atoms will be None in that case. If True, all errors will be raised if encountered.
- Returns:
atoms
- Return type:
ase.Atoms
- name: str = 'atomsfile'
the descriptive name of this type