atomate2.utils.testing.vasp

Utilities for testing VASP calculations.

Functions

check_incar	Check that INCAR settings are consistent with the reference calculation.
check_kpoints	Check that KPOINTS file is consistent with the reference calculation.
check_poscar	Check that POSCAR information is consistent with the reference calculation.
check_potcar	Check that POTCAR information is consistent with the reference calculation.
clear_vasp_inputs	Clean up VASP input files.
copy_vasp_outputs	Copy VASP output files from the reference directory.
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