Searched refs:potcar_filename (Results 1 – 3 of 3) sorted by relevance
105 potcar_filename=None, argument139 self.potcar = Potcar.from_file(potcar_filename) if potcar_filename is not None else None431 potcar_filename = _get_filepath("POTCAR")443 potcar_filename=potcar_filename,560 potcar_filename=potcar_path,587 potcar_filename=potcar_path,
26 potcar_filename=os.path.join(PymatgenTest.TEST_FILES_DIR, "POTCAR.Fe3O4"),117 potcar_filename=os.path.join(PymatgenTest.TEST_FILES_DIR, "POTCAR.Fe3O4"),
187 string potcar_filename = path + "/POTCAR"; in ReadMolecule() local191 ifstream ifs_pot (potcar_filename.c_str()); in ReadMolecule()