Automatically update file headers

arkane/log.py

@@ -1,5 +1,33 @@
-#!/usr/bin/env python2
+#!/usr/bin/env python
 # -*- coding: utf-8 -*-
+
+###############################################################################
+#                                                                             #
+# RMG - Reaction Mechanism Generator                                          #
+#                                                                             #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
+# Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
+#                                                                             #
+# Permission is hereby granted, free of charge, to any person obtaining a     #
+# copy of this software and associated documentation files (the 'Software'),  #
+# to deal in the Software without restriction, including without limitation   #
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,    #
+# and/or sell copies of the Software, and to permit persons to whom the       #
+# Software is furnished to do so, subject to the following conditions:        #
+#                                                                             #
+# The above copyright notice and this permission notice shall be included in  #
+# all copies or substantial portions of the Software.                         #
+#                                                                             #
+# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR  #
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,    #
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER      #
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING     #
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER         #
+# DEALINGS IN THE SOFTWARE.                                                   #
+#                                                                             #
+###############################################################################
+
 """
 A general class for parsing quantum mechanical log files
 """

rmgpy/kinetics/surface.pxd

@@ -1,29 +1,29 @@
-################################################################################
-#
-#   RMG - Reaction Mechanism Generator
-#
-#   Copyright (c) 2002-2009 Prof. William H. Green ([email protected]) and the
-#   RMG Team ([email protected])
-#
-#   Permission is hereby granted, free of charge, to any person obtaining a
-#   copy of this software and associated documentation files (the "Software"),
-#   to deal in the Software without restriction, including without limitation
-#   the rights to use, copy, modify, merge, publish, distribute, sublicense,
-#   and/or sell copies of the Software, and to permit persons to whom the
-#   Software is furnished to do so, subject to the following conditions:
-#
-#   The above copyright notice and this permission notice shall be included in
-#   all copies or substantial portions of the Software.
-#
-#   THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-#   IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-#   FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
-#   THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-#   LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
-#   FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
-#   DEALINGS IN THE SOFTWARE.
-#
-################################################################################
+###############################################################################
+#                                                                             #
+# RMG - Reaction Mechanism Generator                                          #
+#                                                                             #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
+# Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
+#                                                                             #
+# Permission is hereby granted, free of charge, to any person obtaining a     #
+# copy of this software and associated documentation files (the 'Software'),  #
+# to deal in the Software without restriction, including without limitation   #
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,    #
+# and/or sell copies of the Software, and to permit persons to whom the       #
+# Software is furnished to do so, subject to the following conditions:        #
+#                                                                             #
+# The above copyright notice and this permission notice shall be included in  #
+# all copies or substantial portions of the Software.                         #
+#                                                                             #
+# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR  #
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,    #
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER      #
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING     #
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER         #
+# DEALINGS IN THE SOFTWARE.                                                   #
+#                                                                             #
+###############################################################################
 
 cimport numpy
 

rmgpy/kinetics/surface.pyx

@@ -1,31 +1,31 @@
 # cython: embedsignature=True, cdivision=True
 
-################################################################################
-#
-#   RMG - Reaction Mechanism Generator
-#
-#   Copyright (c) 2002-2009 Prof. William H. Green ([email protected]) and the
-#   RMG Team ([email protected])
-#
-#   Permission is hereby granted, free of charge, to any person obtaining a
-#   copy of this software and associated documentation files (the "Software"),
-#   to deal in the Software without restriction, including without limitation
-#   the rights to use, copy, modify, merge, publish, distribute, sublicense,
-#   and/or sell copies of the Software, and to permit persons to whom the
-#   Software is furnished to do so, subject to the following conditions:
-#
-#   The above copyright notice and this permission notice shall be included in
-#   all copies or substantial portions of the Software.
-#
-#   THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-#   IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-#   FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
-#   THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-#   LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
-#   FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
-#   DEALINGS IN THE SOFTWARE.
-#
-################################################################################
+###############################################################################
+#                                                                             #
+# RMG - Reaction Mechanism Generator                                          #
+#                                                                             #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
+# Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
+#                                                                             #
+# Permission is hereby granted, free of charge, to any person obtaining a     #
+# copy of this software and associated documentation files (the 'Software'),  #
+# to deal in the Software without restriction, including without limitation   #
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,    #
+# and/or sell copies of the Software, and to permit persons to whom the       #
+# Software is furnished to do so, subject to the following conditions:        #
+#                                                                             #
+# The above copyright notice and this permission notice shall be included in  #
+# all copies or substantial portions of the Software.                         #
+#                                                                             #
+# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR  #
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,    #
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER      #
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING     #
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER         #
+# DEALINGS IN THE SOFTWARE.                                                   #
+#                                                                             #
+###############################################################################
 
 import numpy
 from libc.math cimport exp, log, sqrt, log10

rmgpy/kinetics/uncertainies.py

@@ -5,7 +5,7 @@
 #                                                                             #
 # RMG - Reaction Mechanism Generator                                          #
 #                                                                             #
-# Copyright (c) 2002-2018 Prof. William H. Green ([email protected]),           #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
 # Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
 #                                                                             #
 # Permission is hereby granted, free of charge, to any person obtaining a     #

rmgpy/rmgobject.pxd

@@ -2,7 +2,7 @@
 #                                                                             #
 # RMG - Reaction Mechanism Generator                                          #
 #                                                                             #
-# Copyright (c) 2002-2018 Prof. William H. Green ([email protected]),           #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
 # Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
 #                                                                             #
 # Permission is hereby granted, free of charge, to any person obtaining a     #

rmgpy/solver/surface.pyx

@@ -1,29 +1,29 @@
-################################################################################
-#
-#   RMG - Reaction Mechanism Generator
-#
-#   Copyright (c) 2002-2010 Prof. William H. Green ([email protected]) and the
-#   RMG Team ([email protected])
-#
-#   Permission is hereby granted, free of charge, to any person obtaining a
-#   copy of this software and associated documentation files (the 'Software'),
-#   to deal in the Software without restriction, including without limitation
-#   the rights to use, copy, modify, merge, publish, distribute, sublicense,
-#   and/or sell copies of the Software, and to permit persons to whom the
-#   Software is furnished to do so, subject to the following conditions:
-#
-#   The above copyright notice and this permission notice shall be included in
-#   all copies or substantial portions of the Software.
-#
-#   THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-#   IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-#   FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-#   AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-#   LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
-#   FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
-#   DEALINGS IN THE SOFTWARE.
-#
-################################################################################
+###############################################################################
+#                                                                             #
+# RMG - Reaction Mechanism Generator                                          #
+#                                                                             #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
+# Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
+#                                                                             #
+# Permission is hereby granted, free of charge, to any person obtaining a     #
+# copy of this software and associated documentation files (the 'Software'),  #
+# to deal in the Software without restriction, including without limitation   #
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,    #
+# and/or sell copies of the Software, and to permit persons to whom the       #
+# Software is furnished to do so, subject to the following conditions:        #
+#                                                                             #
+# The above copyright notice and this permission notice shall be included in  #
+# all copies or substantial portions of the Software.                         #
+#                                                                             #
+# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR  #
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,    #
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER      #
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING     #
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER         #
+# DEALINGS IN THE SOFTWARE.                                                   #
+#                                                                             #
+###############################################################################
 
 """
 Contains the :class:`SimpleReactor` class, providing a reaction system

rmgpy/solver/surfaceTest.py

@@ -1,6 +1,33 @@
-#!/usr/bin/python
+#!/usr/bin/env python
 # -*- coding: utf-8 -*-
 
+###############################################################################
+#                                                                             #
+# RMG - Reaction Mechanism Generator                                          #
+#                                                                             #
+# Copyright (c) 2002-2019 Prof. William H. Green ([email protected]),           #
+# Prof. Richard H. West ([email protected]) and the RMG Team ([email protected])   #
+#                                                                             #
+# Permission is hereby granted, free of charge, to any person obtaining a     #
+# copy of this software and associated documentation files (the 'Software'),  #
+# to deal in the Software without restriction, including without limitation   #
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,    #
+# and/or sell copies of the Software, and to permit persons to whom the       #
+# Software is furnished to do so, subject to the following conditions:        #
+#                                                                             #
+# The above copyright notice and this permission notice shall be included in  #
+# all copies or substantial portions of the Software.                         #
+#                                                                             #
+# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR  #
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,    #
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER      #
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING     #
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER         #
+# DEALINGS IN THE SOFTWARE.                                                   #
+#                                                                             #
+###############################################################################
+
 import unittest
 import numpy