Repository: Quantum-Accelerators/quacc
Pull request #1435 (2023-12-29 06:31:26)

Rename decorators/parameters


Patch:
diff --git a/docs/user/recipes/workflows.md b/docs/user/recipes/workflows.md
index 30099be5..b92201a3 100644
--- a/docs/user/recipes/workflows.md
+++ b/docs/user/recipes/workflows.md
@@ -34,18 +34,18 @@ print(result)
 
 !!! Tip "Modifying the Parameters for Jobs in a Pre-Made Workflow"
 
-    To modify the default parameters of a subset of jobs in a pre-made workflow, you can pass a dictionary of parameters to the `parameters` keyword argument of the workflow function. For example, to tighten the force tolerance of the `relax_job` step in the aforementioned recipe, you can do the following:
+    To modify the default parameters of a subset of jobs in a pre-made workflow, you can pass a dictionary of parameters to the `job_parameters` keyword argument of the workflow function. For example, to tighten the force tolerance of the `relax_job` step in the aforementioned recipe, you can do the following:
 
     ```python
     bulk_to_slabs_flow(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 1e-4}}}
+        atoms, job_parameters={"relax_job": {"opt_params": {"fmax": 1e-4}}}
     )
     ```
 
     To modify the default parameters of all the jobs in a pre-made workflow, such as the EMT calculator's `asap_cutoff` paramter, you can use the "all" keyword as a shorthand:
 
     ```python
-    bulk_to_slabs_flow(atoms, parameters={"all": {"asap_cutoff": True}})
+    bulk_to_slabs_flow(atoms, job_parameters={"all": {"asap_cutoff": True}})
     ```
 
 ## Concluding Comments
diff --git a/docs/user/wflow_engine/wflow_engines1.md b/docs/user/wflow_engine/wflow_engines1.md
index 857f8154..72d3f50e 100644
--- a/docs/user/wflow_engine/wflow_engines1.md
+++ b/docs/user/wflow_engine/wflow_engines1.md
@@ -221,16 +221,16 @@ graph LR
 
     !!! Tip "Selectively Modifying Decorators in a Pre-Made Flow"
 
-        If you want to modify the decorators of select jobs in a pre-made workflow, such as to modify the executor of a given function, you can use the `decorators` keyword argument:
+        If you want to modify the decorators of select jobs in a pre-made workflow, such as to modify the executor of a given function, you can use the `job_decorators` keyword argument:
 
         ```python
-        bulk_to_slabs_flow(atoms, decorators={"static_job": job(executors=["all"])})
+        bulk_to_slabs_flow(atoms, job_decorators={"static_job": job(executors=["all"])})
         ```
 
         As a shorthand, all of the decorators can be modified at once using the "all" keyword:
 
         ```python
-        bulk_to_slabs_flow(atoms, decorators={"all": job(executors=["all"])})
+        bulk_to_slabs_flow(atoms, job_decorators={"all": job(executors=["all"])})
         ```
 
 === "Covalent"
@@ -255,16 +255,16 @@ graph LR
 
     !!! Tip "Selectively Modifying Decorators in a Pre-Made Flow"
 
-        If you want to modify the decorators of select jobs in a pre-made workflow, such as to modify the executor of a given function, you can use the `decorators` keyword argument:
+        If you want to modify the decorators of select jobs in a pre-made workflow, such as to modify the executor of a given function, you can use the `job_decorators` keyword argument:
 
         ```python
-        ct.dispatch(bulk_to_slabs_flow)(atoms, decorators={"static_job": job(executor="local")})
+        ct.dispatch(bulk_to_slabs_flow)(atoms, job_decorators={"static_job": job(executor="local")})
         ```
 
         As a shorthand, all of the decorators can be modified at once using the "all" keyword:
 
         ```python
-        ct.dispatch(bulk_to_slabs_flow)(atoms, decorators={"all": job(executor="local")})  # (1)!
+        ct.dispatch(bulk_to_slabs_flow)(atoms, job_decorators={"all": job(executor="local")})  # (1)!
         ```
 
         1. Alternatively, you can simply modify the `#!Python @flow` decorator itself:
diff --git a/src/quacc/recipes/emt/defects.py b/src/quacc/recipes/emt/defects.py
index 6a0f2326..b5e3553d 100644
--- a/src/quacc/recipes/emt/defects.py
+++ b/src/quacc/recipes/emt/defects.py
@@ -40,8 +40,8 @@ def bulk_to_defects_flow(
     defect_charge: int = 0,
     run_static: bool = True,
     make_defects_kwargs: dict[str, Any] | None = None,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> list[RunSchema | OptSchema]:
     """
     Workflow consisting of:
@@ -65,10 +65,10 @@ def bulk_to_defects_flow(
     make_defects_kwargs
         Keyword arguments to pass to
         [quacc.atoms.defects.make_defects_from_bulk][]
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -83,8 +83,8 @@ def bulk_to_defects_flow(
     )
     relax_job_, static_job_ = customize_funcs(
         {"relax_job": relax_job, "static_job": static_job},
-        decorators=decorators,
-        parameters=parameters,
+        decorators=job_decorators,
+        parameters=job_parameters,
     )
 
     return bulk_to_defects_subflow(
diff --git a/src/quacc/recipes/emt/phonons.py b/src/quacc/recipes/emt/phonons.py
index b53c0781..ac0e6186 100644
--- a/src/quacc/recipes/emt/phonons.py
+++ b/src/quacc/recipes/emt/phonons.py
@@ -26,8 +26,8 @@ def phonon_flow(
     t_step: float = 10,
     t_min: float = 0,
     t_max: float = 1000,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> PhononSchema:
     """
     Carry out a phonon workflow, consisting of:
@@ -54,10 +54,10 @@ def phonon_flow(
         Min temperature (K).
     t_max
         Max temperature (K).
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -67,7 +67,7 @@ def phonon_flow(
         Dictionary of results from [quacc.schemas.phonons.summarize_phonopy][]
     """
     static_job_ = customize_funcs(
-        {"static_job": static_job}, decorators=decorators, parameters=parameters
+        {"static_job": static_job}, decorators=job_decorators, parameters=job_parameters
     )[0]
 
     return phonon_flow_(
diff --git a/src/quacc/recipes/emt/slabs.py b/src/quacc/recipes/emt/slabs.py
index 63ab07c0..91530587 100644
--- a/src/quacc/recipes/emt/slabs.py
+++ b/src/quacc/recipes/emt/slabs.py
@@ -21,8 +21,8 @@ def bulk_to_slabs_flow(
     atoms: Atoms,
     run_static: bool = True,
     make_slabs_kwargs: dict[str, Any] | None = None,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> list[RunSchema | OptSchema]:
     """
     Workflow consisting of:
@@ -41,10 +41,10 @@ def bulk_to_slabs_flow(
         Whether to run static calculations.
     make_slabs_kwargs
         Additional keyword arguments to pass to [quacc.atoms.slabs.make_slabs_from_bulk][]
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -56,8 +56,8 @@ def bulk_to_slabs_flow(
     """
     relax_job_, static_job_ = customize_funcs(
         {"relax_job": relax_job, "static_job": static_job},
-        decorators=decorators,
-        parameters=parameters,
+        decorators=job_decorators,
+        parameters=job_parameters,
     )
 
     return bulk_to_slabs_subflow(
diff --git a/src/quacc/recipes/tblite/phonons.py b/src/quacc/recipes/tblite/phonons.py
index baf4411a..eeea9157 100644
--- a/src/quacc/recipes/tblite/phonons.py
+++ b/src/quacc/recipes/tblite/phonons.py
@@ -26,8 +26,8 @@ def phonon_flow(
     t_step: float = 10,
     t_min: float = 0,
     t_max: float = 1000,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> PhononSchema:
     """
     Carry out a phonon workflow, consisting of:
@@ -54,10 +54,10 @@ def phonon_flow(
         Min temperature (K).
     t_max
         Max temperature (K).
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -67,7 +67,7 @@ def phonon_flow(
         Dictionary of results from [quacc.schemas.phonons.summarize_phonopy][]
     """
     static_job_ = customize_funcs(
-        {"static_job": static_job}, decorators=decorators, parameters=parameters
+        {"static_job": static_job}, decorators=job_decorators, parameters=job_parameters
     )[0]
 
     return common_phonon_flow(
diff --git a/src/quacc/recipes/vasp/mp.py b/src/quacc/recipes/vasp/mp.py
index e6be9980..ad3a14b2 100644
--- a/src/quacc/recipes/vasp/mp.py
+++ b/src/quacc/recipes/vasp/mp.py
@@ -129,8 +129,8 @@ def mp_relax_job(
 @flow
 def mp_relax_flow(
     atoms: Atoms,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> MPRelaxFlowSchema:
     """
     Workflow consisting of:
@@ -143,10 +143,10 @@ def mp_relax_flow(
     ----------
     atoms
         Atoms object for the structure.
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -157,8 +157,8 @@ def mp_relax_flow(
     """
     mp_prerelax_job_, mp_relax_job_ = customize_funcs(
         {"mp_prerelax_job": mp_prerelax_job, "mp_relax_job": mp_relax_job},
-        decorators=decorators,
-        parameters=parameters,
+        decorators=job_decorators,
+        parameters=job_parameters,
     )
 
     # Run the prerelax
diff --git a/src/quacc/recipes/vasp/slabs.py b/src/quacc/recipes/vasp/slabs.py
index 2eb6344c..16797160 100644
--- a/src/quacc/recipes/vasp/slabs.py
+++ b/src/quacc/recipes/vasp/slabs.py
@@ -122,8 +122,8 @@ def bulk_to_slabs_flow(
     atoms: Atoms,
     make_slabs_kwargs: dict[str, Any] | None = None,
     run_static: bool = True,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> list[VaspSchema]:
     """
     Workflow consisting of:
@@ -142,10 +142,10 @@ def bulk_to_slabs_flow(
         Additional keyword arguments to pass to [quacc.atoms.slabs.make_slabs_from_bulk][]
     run_static
         Whether to run static calculations.
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -156,8 +156,8 @@ def bulk_to_slabs_flow(
     """
     relax_job_, static_job_ = customize_funcs(
         {"relax_job": relax_job, "static_job": static_job},
-        decorators=decorators,
-        parameters=parameters,
+        decorators=job_decorators,
+        parameters=job_parameters,
     )
 
     return bulk_to_slabs_subflow(
@@ -174,8 +174,8 @@ def slab_to_ads_flow(
     adsorbate: Atoms,
     run_static: bool = True,
     make_ads_kwargs: dict[str, Any] | None = None,
-    decorators: dict[str, Callable | None] | None = None,
-    parameters: dict[str, Any] | None = None,
+    job_decorators: dict[str, Callable | None] | None = None,
+    job_parameters: dict[str, Any] | None = None,
 ) -> list[VaspSchema]:
     """
     Workflow consisting of:
@@ -196,10 +196,10 @@ def slab_to_ads_flow(
         Whether to run static calculations.
     make_ads_kwargs
         Additional keyword arguments to pass to [quacc.atoms.slabs.make_adsorbate_structures][]
-    decorators
+    job_decorators
         Custom decorators to apply to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
-    parameters
+    job_parameters
         Custom parameters to pass to each Job in the Flow.
         Refer to [quacc.wflow_tools.customizers.customize_funcs][] for details.
 
@@ -210,8 +210,8 @@ def slab_to_ads_flow(
     """
     relax_job_, static_job_ = customize_funcs(
         {"relax_job": relax_job, "static_job": static_job},
-        decorators=decorators,
-        parameters=parameters,
+        decorators=job_decorators,
+        parameters=job_parameters,
     )
 
     return slab_to_ads_subflow(


Test patch:
diff --git a/tests/core/recipes/emt_recipes/test_emt_defect_recipes.py b/tests/core/recipes/emt_recipes/test_emt_defect_recipes.py
index eddd1441..78f5840a 100644
--- a/tests/core/recipes/emt_recipes/test_emt_defect_recipes.py
+++ b/tests/core/recipes/emt_recipes/test_emt_defect_recipes.py
@@ -10,14 +10,16 @@ def test_bulk_to_defects_flow(tmp_path, monkeypatch):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     output = bulk_to_defects_flow(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 5}}}
+        atoms, job_parameters={"relax_job": {"opt_params": {"fmax": 5}}}
     )
     assert len(output) == 1
     assert len(output[0]["atoms"]) == 107
 
     atoms = bulk("Cu")
     output = bulk_to_defects_flow(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 5}}}, run_static=False
+        atoms,
+        job_parameters={"relax_job": {"opt_params": {"fmax": 5}}},
+        run_static=False,
     )
     assert len(output) == 1
     assert len(output[0]["atoms"]) == 107
diff --git a/tests/core/recipes/emt_recipes/test_emt_recipes.py b/tests/core/recipes/emt_recipes/test_emt_recipes.py
index 0b01e801..de2cf045 100644
--- a/tests/core/recipes/emt_recipes/test_emt_recipes.py
+++ b/tests/core/recipes/emt_recipes/test_emt_recipes.py
@@ -94,7 +94,9 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
     outputs = bulk_to_slabs_flow(
         atoms,
         run_static=False,
-        parameters={"relax_job": {"opt_params": {"fmax": 1.0}, "asap_cutoff": True}},
+        job_parameters={
+            "relax_job": {"opt_params": {"fmax": 1.0}, "asap_cutoff": True}
+        },
     )
     assert len(outputs) == 4
     assert outputs[0]["nsites"] == 80
@@ -107,7 +109,7 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
 def test_customizer():
     atoms = bulk("Cu")
     results = bulk_to_slabs_flow(
-        atoms, parameters={"static_job": {"asap_cutoff": True}}
+        atoms, job_parameters={"static_job": {"asap_cutoff": True}}
     )
     for result in results:
         assert result["parameters"]["asap_cutoff"] is True
@@ -115,14 +117,16 @@ def test_customizer():
 
 def test_customizer_v2():
     atoms = bulk("Cu")
-    results = bulk_to_slabs_flow(atoms, parameters={"relax_job": {"asap_cutoff": True}})
+    results = bulk_to_slabs_flow(
+        atoms, job_parameters={"relax_job": {"asap_cutoff": True}}
+    )
     for result in results:
         assert result["parameters"]["asap_cutoff"] is False
 
 
 def test_all_customizers():
     atoms = bulk("Cu")
-    results = bulk_to_slabs_flow(atoms, parameters={"all": {"asap_cutoff": True}})
+    results = bulk_to_slabs_flow(atoms, job_parameters={"all": {"asap_cutoff": True}})
     for result in results:
         assert result["parameters"]["asap_cutoff"] is True
 
@@ -131,7 +135,10 @@ def test_all_customizers_v2():
     atoms = bulk("Cu")
     results = bulk_to_slabs_flow(
         atoms,
-        parameters={"all": {"asap_cutoff": True}, "static_job": {"asap_cutoff": False}},
+        job_parameters={
+            "all": {"asap_cutoff": True},
+            "static_job": {"asap_cutoff": False},
+        },
     )
     for result in results:
         assert result["parameters"]["asap_cutoff"] is False
diff --git a/tests/core/recipes/tblite_recipes/test_tblite_phonons.py b/tests/core/recipes/tblite_recipes/test_tblite_phonons.py
index 6acce83e..cd986e99 100644
--- a/tests/core/recipes/tblite_recipes/test_tblite_phonons.py
+++ b/tests/core/recipes/tblite_recipes/test_tblite_phonons.py
@@ -10,6 +10,6 @@ pytest.importorskip("phonopy")
 def test_phonon_flow(tmp_path, monkeypatch):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
-    output = phonon_flow(atoms, parameters={"static_job": {"method": "GFN1-xTB"}})
+    output = phonon_flow(atoms, job_parameters={"static_job": {"method": "GFN1-xTB"}})
     assert output["results"]["force_constants"].shape == (8, 8, 3, 3)
     assert len(output["results"]["thermal_properties"]["temperatures"]) == 101
diff --git a/tests/core/recipes/vasp_recipes/mocked/test_vasp_recipes.py b/tests/core/recipes/vasp_recipes/mocked/test_vasp_recipes.py
index cdd6a0d8..65164216 100644
--- a/tests/core/recipes/vasp_recipes/mocked/test_vasp_recipes.py
+++ b/tests/core/recipes/vasp_recipes/mocked/test_vasp_recipes.py
@@ -217,7 +217,7 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
 
     outputs = bulk_to_slabs_flow(
         atoms,
-        parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}},
+        job_parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}},
         run_static=False,
     )
     assert len(outputs) == 4
@@ -230,7 +230,7 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
     assert [output["parameters"]["encut"] == 450 for output in outputs]
 
     outputs = bulk_to_slabs_flow(
-        atoms, parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}}
+        atoms, job_parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}}
     )
     assert len(outputs) == 4
     assert outputs[0]["nsites"] == 45
@@ -257,7 +257,7 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
     outputs = slab_to_ads_flow(
         atoms,
         adsorbate,
-        parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}},
+        job_parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}},
         run_static=False,
     )
 
@@ -267,7 +267,9 @@ def test_slab_dynamic_jobs(tmp_path, monkeypatch):
     assert [output["parameters"]["encut"] == 450 for output in outputs]
 
     outputs = slab_to_ads_flow(
-        atoms, adsorbate, parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}}
+        atoms,
+        adsorbate,
+        job_parameters={"relax_job": {"preset": "SlabSet", "nelmin": 6}},
     )
 
     assert [output["nsites"] == 82 for output in outputs]
diff --git a/tests/covalent/test_covalent_recipes.py b/tests/covalent/test_covalent_recipes.py
index 00b5c1fb..8afdc502 100644
--- a/tests/covalent/test_covalent_recipes.py
+++ b/tests/covalent/test_covalent_recipes.py
@@ -17,7 +17,9 @@ def test_covalent_functools(tmp_path, monkeypatch):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     dispatch_id = ct.dispatch(bulk_to_slabs_flow)(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        job_parameters={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        run_static=False,
     )
     output = ct.get_result(dispatch_id, wait=True)
     assert output.status == "COMPLETED"
diff --git a/tests/dask/test_dask_recipes.py b/tests/dask/test_dask_recipes.py
index 3302301f..489cd625 100644
--- a/tests/dask/test_dask_recipes.py
+++ b/tests/dask/test_dask_recipes.py
@@ -21,7 +21,9 @@ def test_dask_functools(tmp_path, monkeypatch):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     delayed = bulk_to_slabs_flow(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        job_parameters={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        run_static=False,
     )
     result = client.gather(client.compute(delayed))
     assert len(result) == 4
diff --git a/tests/parsl/test_parsl_recipes.py b/tests/parsl/test_parsl_recipes.py
index a76c9a4f..b30893fd 100644
--- a/tests/parsl/test_parsl_recipes.py
+++ b/tests/parsl/test_parsl_recipes.py
@@ -28,7 +28,9 @@ def test_parsl_functools(tmp_path, monkeypatch):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     result = bulk_to_slabs_flow(
-        atoms, parameters={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        job_parameters={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        run_static=False,
     ).result()
     assert len(result) == 4
     assert "atoms" in result[-1]
diff --git a/tests/redun/test_redun_recipes.py b/tests/redun/test_redun_recipes.py
index 8f0eb1eb..b7f73d14 100644
--- a/tests/redun/test_redun_recipes.py
+++ b/tests/redun/test_redun_recipes.py
@@ -24,7 +24,7 @@ def test_redun_functools(tmp_path, monkeypatch, scheduler):
     result = scheduler.run(
         bulk_to_slabs_flow(
             atoms,
-            parameters={"relax_job": {"opt_params": {"fmax": 0.1}}},
+            job_parameters={"relax_job": {"opt_params": {"fmax": 0.1}}},
             run_static=False,
         )
     )