refactor

materialsproject · Jul 24, 2023 · a380473 · a380473
1 parent e9620b6
commit a380473
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/src/atomate2/forcefields/flows/phonons.py b/src/atomate2/forcefields/flows/phonons.py
@@ -130,7 +130,7 @@ class PhononMaker(Maker):
     get_supercell_size_kwargs: dict = field(default_factory=dict)
     use_symmetrized_structure: str | None = None
     bulk_relax_maker: BaseVaspMaker | None = field(
-        default_factory=lambda: CHGNetRelaxMaker(relax_kwargs={"fmax": 0.0005})
+        default_factory=lambda: CHGNetRelaxMaker(relax_kwargs={"fmax": 0.00001})
     )
     static_energy_maker: BaseVaspMaker | None = field(default_factory=CHGNetStaticMaker)
     phonon_displacement_maker: BaseVaspMaker = field(default_factory=CHGNetStaticMaker)

diff --git a/tests/forcefields/flows/test_flows.py → tests/forcefields/flows/test_phonon.py b/tests/forcefields/flows/test_flows.py → tests/forcefields/flows/test_phonon.py
@@ -12,7 +12,7 @@
 from atomate2.forcefields.flows.phonons import PhononMaker
 
 
-def test_phonon_wf_only_displacements3(clean_dir):
+def test_phonon_wf(clean_dir):
     from jobflow import run_locally
 
     structure = Structure(