fix all ruff FBT003 boolean positional value in function call

src/atomate2/forcefields/jobs.py

@@ -122,10 +122,10 @@ def make(self, structure: Structure) -> ForceFieldTaskDocument:
         return ForceFieldTaskDocument.from_ase_compatible_result(
             self.force_field_name,
             result,
-            False,
-            1,
-            None,
-            None,
+            relax_cell=False,
+            steps=1,
+            relax_kwargs=None,
+            optimizer_kwargs=None,
             **self.task_document_kwargs,
         )
 

src/atomate2/settings.py

@@ -75,12 +75,12 @@ class Atomate2Settings(BaseSettings):
         None, description="Store data from these files in database if present"
     )
     VASP_STORE_ADDITIONAL_JSON: bool = Field(
-        True,
+        default=True,
         description="Ingest any additional JSON data present into database when "
         "parsing VASP directories useful for storing duplicate of FW.json",
     )
     VASP_RUN_BADER: bool = Field(
-        False,
+        default=False,
         description="Whether to run the Bader program when parsing VASP calculations."
         "Requires the bader executable to be on the path.",
     )
@@ -92,7 +92,7 @@ class Atomate2Settings(BaseSettings):
         "to the simulation will be compressed. If False no file is compressed.",
     )
     VASP_INHERIT_INCAR: bool = Field(
-        True,
+        default=True,
         description="Whether to inherit INCAR settings from previous calculation. "
         "This might be useful to port Custodian fixes to child jobs but can also be "
         "dangerous e.g. when switching from GGA to meta-GGA or relax to static jobs."
@@ -119,7 +119,7 @@ class Atomate2Settings(BaseSettings):
         "cp2k.psmp", description="Command to run the MPI version of cp2k"
     )
     CP2K_RUN_BADER: bool = Field(
-        False,
+        default=False,
         description="Whether to run the Bader program when parsing CP2K calculations."
         "Requires the bader executable to be on the path.",
     )
@@ -150,13 +150,13 @@ class Atomate2Settings(BaseSettings):
         None, description="Store data from these files in database if present"
     )
     CP2K_STORE_ADDITIONAL_JSON: bool = Field(
-        True,
+        default=True,
         description="Ingest any additional JSON data present into database when "
         "parsing CP2K directories useful for storing duplicate of FW.json",
     )
 
     CP2K_ZIP_FILES: bool | Literal["atomate"] = Field(
-        True,
+        default=True,
         description="Determine if the files in folder are being compressed. If True "
         "all the files are compressed. If 'atomate' only a selection of files related "
         "to the simulation will be compressed. If False no file is compressed.",

tests/cp2k/conftest.py

@@ -175,8 +175,8 @@ def _check_input(ref_path, user_input):
         from pymatgen.io.cp2k.inputs import Cp2kInput
 
         ref = Cp2kInput.from_file(ref_path / "inputs" / "cp2k.inp")
-        user_input.verbosity(False)
-        ref.verbosity(False)
+        user_input.verbosity(verbosity=False)
+        ref.verbosity(verbosity=False)
         user_string = " ".join(user_input.get_string().lower().split())
         user_hash = md5(user_string.encode("utf-8")).hexdigest()
 

tests/vasp/flows/test_phonons.py

@@ -79,9 +79,7 @@ def test_phonon_wf_only_displacements3(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -247,9 +245,7 @@ def test_phonon_wf_only_displacements_no_structural_transformation(
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -381,9 +377,7 @@ def test_phonon_wf_only_displacements_kpath(mock_vasp, clean_dir, kpathscheme):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0
@@ -541,9 +535,7 @@ def test_phonon_wf_only_displacements_add_inputs(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0
@@ -674,9 +666,7 @@ def test_phonon_wf_only_displacements_optional_settings(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -774,9 +764,7 @@ def test_phonon_wf_all_steps(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(
-        responses[job.jobs[-1].uuid][1].output.has_imaginary_modes, False
-    )
+    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0