simplify: dict.get(key, None) -> dict.get(key)

fix typo

docs/user/install.md

@@ -8,7 +8,7 @@ This guide will get you up and running in an environment for running high-throug
 workflows with atomate2. atomate2 is built on the pymatgen, custodian, jobflow, and
 FireWorks libraries. Briefly:
 
-- [pymatgen] is used create input files and analyze the output of materials science codes.
+- [pymatgen] is used to create input files and analyze the output of materials science codes.
 - [custodian] runs your simulation code (e.g., VASP) and performs error checking/handling
   and checkpointing.
 - [jobflow] is used to design computational workflows.
@@ -22,9 +22,9 @@ Note that this installation tutorial is VASP-centric since almost all functional
 currently in atomate2 pertains to VASP.
 
 [pymatgen]: http://pymatgen.org
-[custodian]: https://materialsproject.github.io/custodian/
-[fireworks]: https://materialsproject.github.io/fireworks/
-[jobflow]: https://materialsproject.github.io/jobflow/
+[custodian]: https://materialsproject.github.io/custodian
+[fireworks]: https://materialsproject.github.io/fireworks
+[jobflow]: https://materialsproject.github.io/jobflow
 
 ### Objectives
 

src/atomate2/common/schemas/cclib.py

@@ -143,10 +143,10 @@ def from_logfile(
         metadata = jsanitize(cclib_obj.metadata)
 
         # monty datetime bug workaround: github.com/materialsvirtuallab/monty/issues/275
-        if metadata.get("wall_time", None):
-            metadata["wall_time"] = [str(m) for m in metadata["wall_time"]]
-        if metadata.get("cpu_time", None):
-            metadata["cpu_time"] = [str(m) for m in metadata["cpu_time"]]
+        if wall_time := metadata.get("wall_time"):
+            metadata["wall_time"] = [*map(str, wall_time)]
+        if cpu_time := metadata.get("cpu_time"):
+            metadata["cpu_time"] = [*map(str, cpu_time)]
 
         # Get the final energy to store as its own key/value pair
         energy = (
@@ -159,8 +159,8 @@ def from_logfile(
         # the input if it is XYZ-formatted though since the Molecule object
         # does not support internal coordinates or Gaussian Z-matrix.
         if (
-            cclib_obj.metadata.get("coord_type", None) == "xyz"
-            and cclib_obj.metadata.get("coords", None) is not None
+            cclib_obj.metadata.get("coord_type") == "xyz"
+            and cclib_obj.metadata.get("coords") is not None
         ):
             coords_obj = cclib_obj.metadata["coords"]
             input_species = [Element(row[0]) for row in coords_obj]

src/atomate2/common/schemas/defects.py

@@ -275,10 +275,10 @@ def dQ_entries(e1, e2):
             return get_dQ(e1.structure, e2.structure)
 
         # ensure the "dir_name" is provided for each entry
-        if any(e.data.get("dir_name", None) is None for e in entries1 + entries2):
+        if any(entry.data.get("dir_name") is None for entry in entries1 + entries2):
             raise ValueError("[dir_name] must be provided for all entries.")
 
-        if any(e.data.get("uuid", None) is None for e in entries1 + entries2):
+        if any(entry.data.get("uuid") is None for entry in entries1 + entries2):
             raise ValueError("[uuid] must be provided for all entries.")
 
         idx1, ent_r1 = find_entry(entries1, relaxed_uuid1)

src/atomate2/cp2k/schemas/calculation.py

@@ -111,10 +111,10 @@ def from_cp2k_output(cls, output: Cp2kOutput):
         """Initialize from Cp2kOutput object."""
         return cls(
             structure=output.initial_structure,
-            atomic_kind_info=output.data.get("atomic_kind_info", None),
+            atomic_kind_info=output.data.get("atomic_kind_info"),
             cp2k_input=output.input.as_dict(),
-            dft=output.data.get("dft", None),
-            cp2k_global=output.data.get("global", None),
+            dft=output.data.get("dft"),
+            cp2k_global=output.data.get("global"),
         )
 
 

src/atomate2/cp2k/schemas/task.py

@@ -220,8 +220,8 @@ def from_cp2k_calc_doc(cls, calc_doc: Calculation) -> "OutputSummary":
             The calculation output summary.
         """
         if calc_doc.output.ionic_steps:
-            forces = calc_doc.output.ionic_steps[-1].get("forces", None)
-            stress = calc_doc.output.ionic_steps[-1].get("stress", None)
+            forces = calc_doc.output.ionic_steps[-1].get("forces")
+            stress = calc_doc.output.ionic_steps[-1].get("stress")
         else:
             forces = None
             stress = None

src/atomate2/utils/file_client.py

@@ -516,7 +516,7 @@ def auto_fileclient(method: Callable | None = None):
     def decorator(func):
         @wraps(func)
         def gen_fileclient(*args, **kwargs):
-            file_client = kwargs.get("file_client", None)
+            file_client = kwargs.get("file_client")
             if file_client is None:
                 with FileClient() as file_client:
                     kwargs["file_client"] = file_client

src/atomate2/vasp/schemas/calc_types/utils.py

@@ -40,7 +40,7 @@ def _variant_equal(v1, v2) -> bool:
     for functional_class in ["HF", "VDW", "METAGGA", "GGA"]:
         for special_type, params in _RUN_TYPE_DATA[functional_class].items():
             if all(
-                _variant_equal(vasp_parameters.get(param, None), value)
+                _variant_equal(vasp_parameters.get(param), value)
                 for param, value in params.items()
             ):
                 return RunType(f"{special_type}{is_hubbard}")

src/atomate2/vasp/sets/base.py

@@ -928,7 +928,7 @@ def _get_u_param(lda_param, lda_config, structure):
 
 def _get_ediff(param, value, structure, incar_settings):
     """Get EDIFF."""
-    if incar_settings.get("EDIFF", None) is None and param == "EDIFF_PER_ATOM":
+    if incar_settings.get("EDIFF") is None and param == "EDIFF_PER_ATOM":
         return float(value) * structure.num_sites
     return float(incar_settings["EDIFF"])
 

tests/common/schemas/test_cclib.py

@@ -29,8 +29,8 @@ def test_cclib_taskdoc(test_dir):
     assert doc["nelectrons"] == 16
     assert "schemas" in doc["dir_name"]
     assert "gau_testopt.log.gz" in doc["logfile"]
-    assert doc.get("attributes", None) is not None
-    assert doc.get("metadata", None) is not None
+    assert doc.get("attributes") is not None
+    assert doc.get("metadata") is not None
     assert doc["metadata"]["success"] is True
     assert doc["attributes"]["molecule_initial"][0].coords == pytest.approx([0, 0, 0])
     assert doc["molecule"][0].coords == pytest.approx([0.397382, 0.0, 0.0])

tests/vasp/conftest.py

@@ -197,11 +197,9 @@ def check_kpoints(ref_path: Path):
         user = Incar.from_file("INCAR")
         ref = Incar.from_file(ref_path / "inputs" / "INCAR")
 
-        if user.get("KSPACING", None) != ref.get("KSPACING", None):
-            raise ValueError(
-                "KSPACING is not consistent: "
-                f"{user.get('KSPACING', None)} != {ref.get('KSPACING', None)}"
-            )
+        user_ksp, ref_ksp = user.get("KSPACING"), ref.get("KSPACING")
+        if user_ksp != ref_ksp:
+            raise ValueError(f"KSPACING is not consistent: {user_ksp} != {ref_ksp}")
 
 
 def check_poscar(ref_path: Path):