diff --git a/LICENSE b/LICENSE index 3ce874b..a102ec2 100644 --- a/LICENSE +++ b/LICENSE @@ -1,5 +1,5 @@ Fortnet: A Behler-Parrinello-Neural-Network Implementation -Copyright (C) 2020 - 2024 T. W. van der Heide +Copyright (C) 2020 - 2025 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 b6c07e2..45278c7 100644 --- a/doc/recipes/docs/conf.py +++ b/doc/recipes/docs/conf.py @@ -25,7 +25,7 @@ # -- Project information ----------------------------------------------------- project = "Fortnet Recipes" -copyright = "2024, T. W. van der Heide" +copyright = "2025, T. W. van der Heide" author = "T. W. van der Heide" # -- General configuration --------------------------------------------------- diff --git a/prog/fortnet/lib_analysis/forces.F90 b/prog/fortnet/lib_analysis/forces.F90 index 23ff88b..a2822a1 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 e752c11..95bdd8c 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 5d877f4..c2d4a24 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 bc9100b..33b8307 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 306a3d8..100144c 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 949aa5f..cb7e3cc 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 e45f45e..8cf1a65 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 93bfaea..2366d64 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 6d6c076..5db0f17 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_extlibs/fsockets.F90 b/prog/fortnet/lib_extlibs/fsockets.F90 index 1d1da35..bf03940 100644 --- a/prog/fortnet/lib_extlibs/fsockets.F90 +++ b/prog/fortnet/lib_extlibs/fsockets.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 a1f1bee..d87e8bc 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 c4c5d2a..e027b10 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! @@ -308,7 +308,7 @@ module fnet_initprogram character(len=*), parameter :: version = '0.7.4' !> copyright year - integer, parameter :: copyrightYear = 2024 + integer, parameter :: copyrightYear = 2025 !> 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 0e90d65..e96f776 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 60c75f7..85b9703 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 e18a1e1..4a88e1e 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 T. W. van der Heide ! ! ! ! See the LICENSE file for terms of usage and distribution. ! !--------------------------------------------------------------------------------------------------! diff --git a/prog/fortnet/lib_io/ipisocket.F90 b/prog/fortnet/lib_io/ipisocket.F90 index d74d5c7..a32137a 100644 --- a/prog/fortnet/lib_io/ipisocket.F90 +++ b/prog/fortnet/lib_io/ipisocket.F90 @@ -1,6 +1,6 @@ !--------------------------------------------------------------------------------------------------! ! FORTNET: A Behler-Parrinello-Neural-Network Implementation ! -! Copyright (C) 2020 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 069e94f..2c62f84 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 795682d..d6f41be 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 1e354c6..4b04c59 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 58a08c2..b1b1ffa 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 58d748f..b5bd2e2 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 7b3b2fe..2ea994e 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 ef25ed8..24c7da7 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 b590e0a..63d3079 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 b82258e..970c4d5 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 b7aaa2a..62a8d57 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 - 2024 T. W. van der Heide ! +! Copyright (C) 2020 - 2025 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 dae65f9..84e8125 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 - 2024 T. W. van der Heide # +# Copyright (C) 2020 - 2025 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 ca9a976..73ed9db 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 - 2024 T. W. van der Heide # +# Copyright (C) 2020 - 2025 T. W. van der Heide # # # # See the LICENSE file for terms of usage and distribution. # #------------------------------------------------------------------------------#