calc_type

atomate2.vasp.schemas.calc_types.utils.calc_type(inputs, vasp_parameters)

Determine the calc type.

Parameters:

• inputs (Dict[Literal['incar', 'poscar', 'kpoints', 'potcar'], ~typing.Dict]) – Inputs dict with an incar, kpoints, potcar, and poscar dictionaries.

• vasp_parameters (Dict) – Dictionary of VASP parameters from vasprun.xml.

Returns:

The calculation type.

Return type:

CalcType