atomate2.utils.testing.vasp

Utilities for testing VASP calculations.

Functions

fake_run_vasp

Emulate running VASP and validate VASP input files.

monkeypatch_vasp

Fake VASP calculations by copying reference files.

zpath

Return the path of a zip file.

Classes

TYPE_CHECKING

bool(x) -> bool

TestData

Utility class to group VASP testing data.

VaspInputTestData

Schema for input VASP test data.

VaspOutputTestData

Schema for output VASP test data.

VaspTestData

Schema for a single VASP calculation test data.

pmg_defects_installed

bool(x) -> bool