From a77135d00fe5c029c1cf3e651f549cc5f5e3e9d6 Mon Sep 17 00:00:00 2001 From: Szilard Pall Date: Fri, 7 May 2010 14:59:38 +0200 Subject: [PATCH] added gromacs file headers to the OpenMM-related files --- src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu | 35 ++++++++++++++++++++++++++ src/kernel/gmx_gpu_utils/gmx_gpu_utils.h | 35 ++++++++++++++++++++++++++ src/kernel/md_openmm.c | 35 ++++++++++++++++++++++++++ src/kernel/md_openmm.h | 34 +++++++++++++++++++++++++ src/kernel/openmm_wrapper.cpp | 41 +++++++++++++++++++++++++++++++ src/kernel/openmm_wrapper.h | 35 ++++++++++++++++++++++++++ 6 files changed, 215 insertions(+) diff --git a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu index 8d2b4681e4..1efd1ca14a 100644 --- a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu +++ b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.cu @@ -1,3 +1,38 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ + #include #include diff --git a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h index 86e686c746..76070804ea 100644 --- a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h +++ b/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h @@ -1,3 +1,38 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ + #ifndef _GMX_GPU_UTILS_H_ #define _GMX_GPU_UTILS_H_ diff --git a/src/kernel/md_openmm.c b/src/kernel/md_openmm.c index c356766c98..a47dee4a4f 100644 --- a/src/kernel/md_openmm.c +++ b/src/kernel/md_openmm.c @@ -1,3 +1,38 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ + #ifdef HAVE_CONFIG_H #include #endif diff --git a/src/kernel/md_openmm.h b/src/kernel/md_openmm.h index 31c7f4e361..b8c80e0055 100644 --- a/src/kernel/md_openmm.h +++ b/src/kernel/md_openmm.h @@ -1,3 +1,37 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ #ifndef _MD_OPENMM_H #define _MD_OPENMM_H diff --git a/src/kernel/openmm_wrapper.cpp b/src/kernel/openmm_wrapper.cpp index 7684a5333c..ba78c5b3f5 100644 --- a/src/kernel/openmm_wrapper.cpp +++ b/src/kernel/openmm_wrapper.cpp @@ -1,3 +1,44 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ + +/* + * Note that parts of this source code originate from the Simtk release + * of OpenMM accelerated Gromacs, for more details see: + * https://simtk.org/project/xml/downloads.xml?group_id=161#package_id600 + */ + #include #include #include diff --git a/src/kernel/openmm_wrapper.h b/src/kernel/openmm_wrapper.h index 8a0ec94cf3..5980d224d0 100644 --- a/src/kernel/openmm_wrapper.h +++ b/src/kernel/openmm_wrapper.h @@ -1,3 +1,38 @@ +/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + * + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * Copyright (c) 1991-2000, University of Groningen, The Netherlands. + * Copyright (c) 2001-2010, The GROMACS development team, + * check out http://www.gromacs.org for more information. + + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * For more info, check our website at http://www.gromacs.org + * + * And Hey: + * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + */ + #ifndef _OPENMM_WRAPPER_H_ #define _OPENMM_WRAPPER_H_ -- 2.11.4.GIT