diff --git a/LICENSE b/LICENSE index a13d58e..78f92c0 100644 --- a/LICENSE +++ b/LICENSE @@ -1,5 +1,5 @@ Fortnet: A Behler-Parrinello-Neural-Network Implementation -Copyright (C) 2020 - 2021 T. W. van der Heide +Copyright (C) 2020 - 2022 T. W. van der Heide This program is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free diff --git a/doc/recipes/docs/conf.py b/doc/recipes/docs/conf.py index b0e0376..93d34af 100644 --- a/doc/recipes/docs/conf.py +++ b/doc/recipes/docs/conf.py @@ -29,7 +29,7 @@ author = 'T. W. van der Heide' # The full version, including alpha/beta/rc tags -release = '0.4' +release = '0.5' # -- General configuration --------------------------------------------------- @@ -61,7 +61,7 @@ # General information about the project. project = 'Fortnet Recipes' -copyright = '2021, T. W. van der Heide' +copyright = '2022, T. W. van der Heide' author = 'T. W. van der Heide' # The version info for the project you're documenting, acts as replacement for @@ -69,9 +69,9 @@ # built documents. # # The short X.Y version. -version = '0.4' +version = '0.5' # The full version, including alpha/beta/rc tags. -release = '0.4' +release = '0.5' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/prog/fortnet/lib_analysis/forces.F90 b/prog/fortnet/lib_analysis/forces.F90 index 2056d67..b998802 100644 --- a/prog/fortnet/lib_analysis/forces.F90 +++ b/prog/fortnet/lib_analysis/forces.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_common/loss.F90 b/prog/fortnet/lib_common/loss.F90 index 5264f7b..7aeea8b 100644 --- a/prog/fortnet/lib_common/loss.F90 +++ b/prog/fortnet/lib_common/loss.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_common/nestedtypes.F90 b/prog/fortnet/lib_common/nestedtypes.F90 index a340912..a5cd95d 100644 --- a/prog/fortnet/lib_common/nestedtypes.F90 +++ b/prog/fortnet/lib_common/nestedtypes.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_common/parallel.F90 b/prog/fortnet/lib_common/parallel.F90 index 3259b74..c1e4eb5 100644 --- a/prog/fortnet/lib_common/parallel.F90 +++ b/prog/fortnet/lib_common/parallel.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_common/random.F90 b/prog/fortnet/lib_common/random.F90 index a910264..fee359d 100644 --- a/prog/fortnet/lib_common/random.F90 +++ b/prog/fortnet/lib_common/random.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_common/workarounds.F90 b/prog/fortnet/lib_common/workarounds.F90 index 597db4a..d54d8a9 100644 --- a/prog/fortnet/lib_common/workarounds.F90 +++ b/prog/fortnet/lib_common/workarounds.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_descriptors/acsf.F90 b/prog/fortnet/lib_descriptors/acsf.F90 index 3f668a2..eebf7f5 100644 --- a/prog/fortnet/lib_descriptors/acsf.F90 +++ b/prog/fortnet/lib_descriptors/acsf.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_dftbp/mpifx.F90 b/prog/fortnet/lib_dftbp/mpifx.F90 index 65f78e7..7c8126c 100644 --- a/prog/fortnet/lib_dftbp/mpifx.F90 +++ b/prog/fortnet/lib_dftbp/mpifx.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_extlibs/dftbp.F90 b/prog/fortnet/lib_extlibs/dftbp.F90 index dda58e9..7a6d098 100644 --- a/prog/fortnet/lib_extlibs/dftbp.F90 +++ b/prog/fortnet/lib_extlibs/dftbp.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_extlibs/mpifx.F90 b/prog/fortnet/lib_extlibs/mpifx.F90 index d4e33c9..f796479 100644 --- a/prog/fortnet/lib_extlibs/mpifx.F90 +++ b/prog/fortnet/lib_extlibs/mpifx.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_fortnet/initprogram.F90 b/prog/fortnet/lib_fortnet/initprogram.F90 index 0ce7dab..c7241ac 100644 --- a/prog/fortnet/lib_fortnet/initprogram.F90 +++ b/prog/fortnet/lib_fortnet/initprogram.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! @@ -261,10 +261,10 @@ module fnet_initprogram !> program version - character(len=*), parameter :: version = '0.4' + character(len=*), parameter :: version = '0.5' !> copyright year - integer, parameter :: copyrightYear = 2021 + integer, parameter :: copyrightYear = 2022 !> root node name of the input tree character(len=*), parameter :: rootTag = 'fortnet' diff --git a/prog/fortnet/lib_hdf5fx/hdf5fx.F90 b/prog/fortnet/lib_hdf5fx/hdf5fx.F90 index cbe1c4c..1737bb3 100644 --- a/prog/fortnet/lib_hdf5fx/hdf5fx.F90 +++ b/prog/fortnet/lib_hdf5fx/hdf5fx.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_io/fnetdata.F90 b/prog/fortnet/lib_io/fnetdata.F90 index 0d1752d..a4317b7 100644 --- a/prog/fortnet/lib_io/fnetdata.F90 +++ b/prog/fortnet/lib_io/fnetdata.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_io/fnetout.F90 b/prog/fortnet/lib_io/fnetout.F90 index d2e9966..aeeb5bc 100644 --- a/prog/fortnet/lib_io/fnetout.F90 +++ b/prog/fortnet/lib_io/fnetout.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_io/iterout.F90 b/prog/fortnet/lib_io/iterout.F90 index 993bc4e..6829fd1 100644 --- a/prog/fortnet/lib_io/iterout.F90 +++ b/prog/fortnet/lib_io/iterout.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_io/netstat.F90 b/prog/fortnet/lib_io/netstat.F90 index 7cc9b4b..abfdf44 100644 --- a/prog/fortnet/lib_io/netstat.F90 +++ b/prog/fortnet/lib_io/netstat.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_nn/bpnn.F90 b/prog/fortnet/lib_nn/bpnn.F90 index e0f740f..08da1be 100644 --- a/prog/fortnet/lib_nn/bpnn.F90 +++ b/prog/fortnet/lib_nn/bpnn.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_nn/layer.F90 b/prog/fortnet/lib_nn/layer.F90 index 0740d01..0e4a695 100644 --- a/prog/fortnet/lib_nn/layer.F90 +++ b/prog/fortnet/lib_nn/layer.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_nn/network.F90 b/prog/fortnet/lib_nn/network.F90 index 2623c87..c8fc550 100644 --- a/prog/fortnet/lib_nn/network.F90 +++ b/prog/fortnet/lib_nn/network.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_nn/transfer.F90 b/prog/fortnet/lib_nn/transfer.F90 index b011ee9..3cd2546 100644 --- a/prog/fortnet/lib_nn/transfer.F90 +++ b/prog/fortnet/lib_nn/transfer.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_optimizers/optimizers.F90 b/prog/fortnet/lib_optimizers/optimizers.F90 index 9ecd509..b6839d0 100644 --- a/prog/fortnet/lib_optimizers/optimizers.F90 +++ b/prog/fortnet/lib_optimizers/optimizers.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_types/features.F90 b/prog/fortnet/lib_types/features.F90 index 110fd72..15bce01 100644 --- a/prog/fortnet/lib_types/features.F90 +++ b/prog/fortnet/lib_types/features.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_utils/intmanip.F90 b/prog/fortnet/lib_utils/intmanip.F90 index e6339fb..0fe18c0 100644 --- a/prog/fortnet/lib_utils/intmanip.F90 +++ b/prog/fortnet/lib_utils/intmanip.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/prg_fnet/fortnet.F90 b/prog/fortnet/prg_fnet/fortnet.F90 index fbdddae..13833d8 100644 --- a/prog/fortnet/prg_fnet/fortnet.F90 +++ b/prog/fortnet/prg_fnet/fortnet.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2021 T. W. van der Heide ! +! Copyright (C) 2020 - 2022 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/test/prog/fortnet/bin/testwithworkdir b/test/prog/fortnet/bin/testwithworkdir index 09e8b21..4dfac2a 100644 --- a/test/prog/fortnet/bin/testwithworkdir +++ b/test/prog/fortnet/bin/testwithworkdir @@ -1,7 +1,7 @@ #!/usr/bin/env python3 #------------------------------------------------------------------------------# # FORTNET: A Behler-Parrinello-Neural-Network Implementation # -# Copyright (C) 2020 - 2021 T. W. van der Heide # +# Copyright (C) 2020 - 2022 T. W. van der Heide # # # # See the LICENSE file for terms of usage and distribution. # #------------------------------------------------------------------------------# diff --git a/test/prog/fortnet/bin/testwithworkdir.py b/test/prog/fortnet/bin/testwithworkdir.py index fef7127..e0ccc1e 100644 --- a/test/prog/fortnet/bin/testwithworkdir.py +++ b/test/prog/fortnet/bin/testwithworkdir.py @@ -1,6 +1,6 @@ #------------------------------------------------------------------------------# # FORTNET: A Behler-Parrinello-Neural-Network Implementation # -# Copyright (C) 2020 - 2021 T. W. van der Heide # +# Copyright (C) 2020 - 2022 T. W. van der Heide # # # # See the LICENSE file for terms of usage and distribution. # #------------------------------------------------------------------------------#