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Fix tests
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ElliottKasoar committed Mar 5, 2025
1 parent b2885a6 commit 2f34107
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Showing 2 changed files with 4 additions and 6 deletions.
1 change: 0 additions & 1 deletion tests/test_geomopt_cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -383,7 +383,6 @@ def test_summary(tmp_path):

assert "config" in geomopt_summary
assert "minimize_kwargs" in geomopt_summary["config"]
assert "opt_kwargs" in geomopt_summary["config"]["minimize_kwargs"]

assert "info" in geomopt_summary
assert "struct" in geomopt_summary["info"]
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9 changes: 4 additions & 5 deletions tests/test_phonons_cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -125,8 +125,7 @@ def test_bands_simple(tmp_path):
assert "command" in phonon_summary
assert "janus phonons" in phonon_summary["command"]
assert "config" in phonon_summary
assert "calcs" in phonon_summary["config"]
assert phonon_summary["config"]["calcs"][0] == "bands"
assert phonon_summary["config"]["bands"]


def test_hdf5(tmp_path):
Expand Down Expand Up @@ -269,9 +268,9 @@ def test_plot(tmp_path):
assert summary_path.exists()
with open(summary_path, encoding="utf8") as file:
phonon_summary = yaml.safe_load(file)
assert phonon_summary["config"]["calcs"][0] == "bands"
assert phonon_summary["config"]["calcs"][1] == "dos"
assert phonon_summary["config"]["calcs"][2] == "pdos"
assert phonon_summary["config"]["bands"]
assert phonon_summary["config"]["dos"]
assert phonon_summary["config"]["pdos"]


test_data = [
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