cleared out parameters for now

src/grogupy/grogu.py

@@ -544,21 +544,19 @@ if __name__ == "__main__":
         dict(ai=1, aj=2, Ruc=np.array([-3, 0, 0])),
     ]
     simulation_parameters = dict()
-    simulation_parameters["infile"] = (
-        "/Users/danielpozsar/Downloads/nojij/Fe3GeTe2/monolayer/soc/lat3_791/Fe3GeTe2.fdf"
-    )
-    simulation_parameters["outfile"] = "./Fe3GeTe2_notebook"
+    simulation_parameters["infile"] = ""
+    simulation_parameters["outfile"] = "./"
     simulation_parameters["scf_xcf_orientation"] = np.array([0, 0, 1])
     simulation_parameters["ref_xcf_orientations"] = [
         dict(o=np.array([1, 0, 0]), vw=[np.array([0, 1, 0]), np.array([0, 0, 1])]),
         dict(o=np.array([0, 1, 0]), vw=[np.array([1, 0, 0]), np.array([0, 0, 1])]),
         dict(o=np.array([0, 0, 1]), vw=[np.array([1, 0, 0]), np.array([0, 1, 0])]),
     ]
-    simulation_parameters["kset"] = 10
-    simulation_parameters["kdirs"] = "xy"
+    simulation_parameters["kset"] = 0
+    simulation_parameters["kdirs"] = ""
     simulation_parameters["ebot"] = None
-    simulation_parameters["eset"] = 600
-    simulation_parameters["esetp"] = 10000
+    simulation_parameters["eset"] = 0
+    simulation_parameters["esetp"] = 0
     simulation_parameters["parallel_solver_for_Gk"] = False
     simulation_parameters["padawan_mode"] = True
     ####################################################################################################