isort **/*.py

Author: janosh

atomate/qchem/firetasks/tests/test_geo_transformations.py

@@ -1,12 +1,12 @@
 import os
 import unittest
 
-from atomate.qchem.firetasks.geo_transformations import RotateTorsion, PerturbGeometry
-from atomate.utils.testing import AtomateTest
-from pymatgen.core.structure import Molecule
 import numpy as np
+from pymatgen.core.structure import Molecule
 from pymatgen.io.qchem.outputs import QCOutput
-import numpy as np
+
+from atomate.qchem.firetasks.geo_transformations import PerturbGeometry, RotateTorsion
+from atomate.utils.testing import AtomateTest
 
 __author__ = "Brandon Wood, Evan Spotte-Smith"
 __email__ = "[email protected]"

atomate/qchem/workflows/tests/test_reaction_path.py

@@ -1,15 +1,16 @@
+import copy
 import os
 import unittest
-import copy
-import numpy as np
 
+import numpy as np
 from fireworks import FWorker
 from fireworks.core.rocket_launcher import rapidfire
-from atomate.utils.testing import AtomateTest
 from pymatgen.core import Molecule
 from pymatgen.io.qchem.outputs import QCOutput
+
 from atomate.qchem.powerups import use_fake_qchem
 from atomate.qchem.workflows.base.reaction_path import get_wf_reaction_path_with_ts
+from atomate.utils.testing import AtomateTest
 
 __author__ = "Evan Spotte-Smith"
 __copyright__ = "Copyright 2021, The Materials Project"

atomate/vasp/firetasks/exchange.py

@@ -1,7 +1,5 @@
 from fireworks import FiretaskBase, FWAction, explicit_serialize
-
 from monty.serialization import dumpfn, loadfn
-
 from pymatgen.analysis.magnetism.heisenberg import HeisenbergMapper, HeisenbergModel
 from pymatgen.command_line.vampire_caller import VampireCaller
 

atomate/vasp/firetasks/tests/test_exchange.py

@@ -4,6 +4,10 @@
 import pandas as pd
 from monty.os.path import which
 from pymatgen.core import Structure
+from pymatgen.core.structure import Structure
+from pymatgen.io.vasp import Incar, Kpoints, Poscar, Potcar
+from pymatgen.io.vasp.sets import MPRelaxSet
+from pymatgen.util.testing import PymatgenTest
 
 from atomate.utils.testing import AtomateTest
 from atomate.vasp.firetasks.exchange import (
@@ -13,13 +17,6 @@
     VampireToDb,
 )
 
-from atomate.utils.testing import AtomateTest
-
-from pymatgen.core.structure import Structure
-from pymatgen.util.testing import PymatgenTest
-from pymatgen.io.vasp import Incar, Poscar, Potcar, Kpoints
-from pymatgen.io.vasp.sets import MPRelaxSet
-
 __author__ = "Nathan C. Frey"
 __email__ = "[email protected]"