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cclib/attribute_parsers/atombasis.py

@@ -7,7 +7,6 @@
 
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
 
 import numpy as np
 

cclib/attribute_parsers/atomcharges.py

@@ -2,9 +2,10 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
 
 import numpy as np
 

cclib/attribute_parsers/atomcoords.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/atommasses.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/atomnos.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/charge.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/coreelectrons.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/gbasis.py

@@ -2,18 +2,21 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+import re
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
-import re
+
 
 class gbasis(base_parser):
     """
     Docstring? Units?
     """
 
-    known_codes = ["gaussian","psi4","qchem"]
+    known_codes = ["gaussian", "psi4", "qchem"]
 
     @staticmethod
     def gaussian(file_handler, ccdata) -> Optional[dict]:

cclib/attribute_parsers/mocoeffs.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/mosyms.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/mult.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/natom.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 
@@ -13,7 +15,7 @@ class natom(base_parser):
     Docstring? Units?
     """
 
-    known_codes = ["gaussian", "psi4","qchem"]
+    known_codes = ["gaussian", "psi4", "qchem"]
 
     @staticmethod
     def gaussian(file_handler, ccdata) -> Optional[dict]:

cclib/attribute_parsers/nbasis.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/nmo.py

@@ -2,9 +2,11 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
 

cclib/attribute_parsers/scfenergies.py

@@ -2,9 +2,10 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
 
 
 class scfenergies(base_parser):

cclib/attribute_parsers/scftargets.py

@@ -2,11 +2,14 @@
 #
 # This file is part of cclib (http://cclib.github.io) and is distributed under
 # the terms of the BSD 3-Clause License.
+from typing import Optional
+
 from cclib.attribute_parsers import utils
 from cclib.attribute_parsers.base_parser import base_parser
-from typing import Optional
+
 import numpy as np
 
+
 class scftargets(base_parser):
     """
     Docstring? Units?

test/data/testSP.py

@@ -826,6 +826,7 @@ class GenericDispersionTest:
     """Generic single-geometry dispersion correction unittest"""
 
     dispersionenergy = -0.4005496
+
     @skipForParser("QChem", "this property has yet to be ported for version 2")
     def testdispersionenergies(self, data) -> None:
         """Is the dispersion energy parsed correctly?"""