Loading ase/test/fio/vasp/test_vasp_out.py +10 −0 Original line number Diff line number Diff line # flake8: noqa import inspect import shutil from pathlib import Path import numpy as np import pytest Loading Loading @@ -91,3 +93,11 @@ def test_read_vasp_multiple_times(outcar): print(result1) print(result2) assert len(compare_atoms(result1, result2)) == 0 def test_with_empty_contcar(testdir, outcar) -> None: """Test `read_vasp_out` with empty CONTCAR for reading constraints.""" Path('CONTCAR').touch() shutil.copy2(outcar, 'OUTCAR') atoms = read('OUTCAR') assert isinstance(atoms, Atoms) Loading
ase/test/fio/vasp/test_vasp_out.py +10 −0 Original line number Diff line number Diff line # flake8: noqa import inspect import shutil from pathlib import Path import numpy as np import pytest Loading Loading @@ -91,3 +93,11 @@ def test_read_vasp_multiple_times(outcar): print(result1) print(result2) assert len(compare_atoms(result1, result2)) == 0 def test_with_empty_contcar(testdir, outcar) -> None: """Test `read_vasp_out` with empty CONTCAR for reading constraints.""" Path('CONTCAR').touch() shutil.copy2(outcar, 'OUTCAR') atoms = read('OUTCAR') assert isinstance(atoms, Atoms)