dftbplusparser/metainfo/dftbplus.py

@@ -131,23 +131,5 @@ class section_single_configuration_calculation(public.section_single_configurati
         ''',
         a_legacy=LegacyDefinition(name='x_dftbp_force_max_mov'))
 
-    energy_total = Quantity(
-        type=np.dtype(np.float64),
-        shape=[],
-        description='''
-        -
-        ''',
-        categories=[public.energy_value, public.energy_component, public.energy_total_potential],
-        a_legacy=LegacyDefinition(name='energy_total'))
-
-    energy_free = Quantity(
-        type=np.dtype(np.float64),
-        shape=[],
-        description='''
-        -
-        ''',
-        categories=[public.energy_value, public.energy_component, public.energy_total_potential],
-        a_legacy=LegacyDefinition(name='energy_free'))
-
 
 m_package.__init_metainfo__()

dftbplusparser/setup_paths.py

-# Copyright 2016-2018 Fawzi Mohamed, Adriel Domínguez
-# 
-#   Licensed under the Apache License, Version 2.0 (the "License");
-#   you may not use this file except in compliance with the License.
-#   You may obtain a copy of the License at
-# 
-#     http://www.apache.org/licenses/LICENSE-2.0
-# 
-#   Unless required by applicable law or agreed to in writing, software
-#   distributed under the License is distributed on an "AS IS" BASIS,
-#   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
-#   See the License for the specific language governing permissions and
-#   limitations under the License.
-
-import sys, os, os.path
-baseDir = os.path.dirname(os.path.abspath(__file__))
-commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))
-
-if not commonDir in sys.path:
-    sys.path.insert(0, commonDir)