undo accidential change

Author: JaGeo

src/autoplex/data/common/flows.py

@@ -4,7 +4,11 @@
 import traceback
 from dataclasses import dataclass, field
 
+<<<<<<< HEAD
 from atomate2.aims.jobs.base import BaseAimsMaker
+=======
+# from atomate2.aims.jobs.base import BaseAimsMaker
+>>>>>>> 94e553e2637b061f760a0caacf338722a141f8c7
 from atomate2.forcefields.jobs import (
     ForceFieldRelaxMaker,
     ForceFieldStaticMaker,
@@ -297,6 +301,7 @@ class DFTStaticLabelling(Maker):
     dimer_num: int = 21
     custom_incar: dict | None = None
     custom_potcar: dict | None = None
+<<<<<<< HEAD
     static_energy_maker: (
         BaseVaspMaker | CastepStaticMaker | ForceFieldStaticMaker | BaseAimsMaker
     ) = field(
@@ -330,6 +335,41 @@ class DFTStaticLabelling(Maker):
                 }
             ),
             run_vasp_kwargs={"handlers": ()},
+=======
+    static_energy_maker: BaseVaspMaker | CastepStaticMaker | ForceFieldStaticMaker = (
+        field(
+            default_factory=lambda: StaticMaker(
+                input_set_generator=StaticSetGenerator(
+                    user_incar_settings={
+                        "ADDGRID": "True",
+                        "ENCUT": 520,
+                        "EDIFF": 1e-06,
+                        "ISMEAR": 0,
+                        "SIGMA": 0.01,
+                        "PREC": "Accurate",
+                        "ISYM": None,
+                        "KSPACING": 0.2,
+                        "NPAR": 8,
+                        "LWAVE": "False",
+                        "LCHARG": "False",
+                        "ENAUG": None,
+                        "GGA": None,
+                        "ISPIN": None,
+                        "LAECHG": None,
+                        "LELF": None,
+                        "LORBIT": None,
+                        "LVTOT": None,
+                        "NSW": None,
+                        "SYMPREC": None,
+                        "NELM": 100,
+                        "LMAXMIX": None,
+                        "LASPH": None,
+                        "AMIN": None,
+                    }
+                ),
+                run_vasp_kwargs={"handlers": ()},
+            )
+>>>>>>> 94e553e2637b061f760a0caacf338722a141f8c7
         )
     )
     static_energy_maker_isolated_atoms: (