scnc
/
phono3py
mirror of https://github.com/phonopy/phono3py.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Update test_phono3py_load_with_typeII_dataset

This commit is contained in:
Atsushi Togo 2025-06-05 16:27:14 +09:00
parent 2732a1a0f0
commit 731ea60afe
1 changed files with 11 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
test/cui/test_phono3py_load_script.py
View File

@ -72,11 +72,18 @@ def test_phono3py_load():
@pytest.mark.parametrize( @pytest.mark.parametrize(
"fc_calculator,fc_calculator_options", "load_phono3py_yaml,fc_calculator,fc_calculator_options",
[(None, None), ("symfc", None), ("symfc", "|cutoff=4.0")], [
(True, None, None),
(True, "symfc", None),
(True, "symfc", "|cutoff=4.0"),
(False, "symfc", "|cutoff=4.0"),
],
) )
def test_phono3py_load_with_typeII_dataset( def test_phono3py_load_with_typeII_dataset(
fc_calculator: str | None, fc_calculator_options: str | None fc_calculator: str | None,
fc_calculator_options: str | None,
load_phono3py_yaml: bool,
): ):
"""Test phono3py-load script with typeII dataset. """Test phono3py-load script with typeII dataset.
@ -86,6 +93,7 @@ def test_phono3py_load_with_typeII_dataset(
pytest.importorskip("symfc") pytest.importorskip("symfc")
argparse_control = _get_phono3py_load_args( argparse_control = _get_phono3py_load_args(
cwd / ".." / "phono3py_params-Si111-rd.yaml.xz", cwd / ".." / "phono3py_params-Si111-rd.yaml.xz",
load_phono3py_yaml=load_phono3py_yaml,
fc_calculator=fc_calculator, fc_calculator=fc_calculator,
fc_calculator_options=fc_calculator_options, fc_calculator_options=fc_calculator_options,
) )