domdec -> mdlib
domdec -> pulling
fileio -> gmxlib
-gmxlib -> listed-forces
+gmxlib -> listed_forces
mdlib -> essentialdynamics
mdlib -> imd
mdlib -> ewald
mdlib -> awh
simd -> hardware
gpu_utils -> hardware
-listed-forces -> mdlib
+listed_forces -> mdlib
add_subdirectory(gmxlib)
add_subdirectory(mdlib)
add_subdirectory(applied-forces)
-add_subdirectory(listed-forces)
+add_subdirectory(listed_forces)
add_subdirectory(commandline)
add_subdirectory(domdec)
add_subdirectory(ewald)
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2005,2006,2007,2008,2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2005,2006,2007,2008,2009,2010,2011,2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/hardware/hw_info.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/calc_verletbuf.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/fileio/trxio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxana/gstat.h"
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxana/gmx_ana.h"
#include "gromacs/linearalgebra/nrjac.h"
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/gmxana/gmx_ana.h"
#include "gromacs/gmxana/gstat.h"
#include "gromacs/gmxlib/nrnb.h"
-#include "gromacs/listed-forces/disre.h"
+#include "gromacs/listed_forces/disre.h"
#include "gromacs/math/do_fit.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/fileio/enxio.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/gmxana/gmx_ana.h"
-#include "gromacs/listed-forces/disre.h"
+#include "gromacs/listed_forces/disre.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdtypes/md_enums.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include <algorithm>
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include <algorithm>
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/pbcutil/rmpbc.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/gmxlib/nonbonded/nb_generic.h"
#include "gromacs/gmxlib/nonbonded/nb_generic_cg.h"
#include "gromacs/gmxlib/nonbonded/nb_kernel.h"
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/gmxpreprocess/pdb2top.h"
#include "gromacs/gmxpreprocess/toppush.h"
#include "gromacs/gmxpreprocess/toputil.h"
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015,2016,2018, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2016,2018,2019, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
bonded.cpp
disre.cpp
gpubonded-impl.cpp
- listed-forces.cpp
+ listed_forces.cpp
listed-internal.cpp
manage-threading.cpp
orires.cpp
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
#include <algorithm>
-#include "gromacs/listed-forces/pairs.h"
+#include "gromacs/listed_forces/pairs.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_BONDED_H
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* Declares functions for handling distance restraints.
*
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_DISRE_H
#define GMX_LISTED_FORCES_DISRE_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
#include <string>
-#include "gromacs/listed-forces/gpubonded.h"
+#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/stringutil.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \author Szilárd Páll <pall.szilard@gmail.com>
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
#include "gromacs/gpu_utils/gpu_vec.cuh"
#include "gromacs/gpu_utils/gputraits.cuh"
#include "gromacs/gpu_utils/hostallocator.h"
-#include "gromacs/listed-forces/gpubonded.h"
+#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/topology/forcefieldparameters.h"
#include "gromacs/topology/idef.h"
* \author Szilárd Páll <pall.szilard@gmail.com>
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_GPUBONDED_IMPL_H
#define GMX_LISTED_FORCES_GPUBONDED_IMPL_H
#include "gromacs/gpu_utils/gpu_vec.cuh"
#include "gromacs/gpu_utils/gputraits.cuh"
#include "gromacs/gpu_utils/hostallocator.h"
-#include "gromacs/listed-forces/gpubonded.h"
+#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/topology/idef.h"
struct gmx_ffparams_t;
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_GPUBONDED_H
#define GMX_LISTED_FORCES_GPUBONDED_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \author Alan Gray <alang@nvidia.com>
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/gpu_utils/gpu_vec.cuh"
#include "gromacs/gpu_utils/gputraits.cuh"
-#include "gromacs/listed-forces/gpubonded.h"
-#include "gromacs/listed-forces/listed-forces.h"
+#include "gromacs/listed_forces/gpubonded.h"
+#include "gromacs/listed_forces/listed_forces.h"
#include "gromacs/math/units.h"
#include "gromacs/mdlib/force_flags.h"
#include "gromacs/mdtypes/enerdata.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \brief This file defines functions needed internally by the module.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
* internally by the module.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_LISTED_INTERNAL_H
#define GMX_LISTED_FORCES_LISTED_INTERNAL_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
-#include "listed-forces.h"
+#include "listed_forces.h"
#include <cassert>
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
-#include "gromacs/listed-forces/bonded.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/orires.h"
-#include "gromacs/listed-forces/pairs.h"
-#include "gromacs/listed-forces/position-restraints.h"
+#include "gromacs/listed_forces/bonded.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/orires.h"
+#include "gromacs/listed_forces/pairs.h"
+#include "gromacs/listed_forces/position-restraints.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/force.h"
#include "gromacs/mdlib/force_flags.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-/*! \defgroup module_listed-forces Interactions between lists of particles
+/*! \defgroup module_listed_forces Interactions between lists of particles
* \ingroup group_mdrun
*
* \brief Handles computing energies and forces for listed
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_LISTED_FORCES_H
#define GMX_LISTED_FORCES_LISTED_FORCES_H
* interactions.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
#include <algorithm>
#include <string>
-#include "gromacs/listed-forces/gpubonded.h"
+#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/topology/ifunc.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_MANAGE_THREADING_H
#define GMX_LISTED_FORCES_MANAGE_THREADING_H
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2010,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2014,2015,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* Declares functions for handling orientation restraints.
*
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_ORIRES_H
#define GMX_LISTED_FORCES_ORIRES_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_PAIRS_H
#define GMX_LISTED_FORCES_PAIRS_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
* \inlibraryapi
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_POSITION_RESTRAINTS_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2017,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Nicolae Goga
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Nicolae Goga
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_RESTCBT_H
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2016, by the GROMACS development team, led by
+# Copyright (c) 2016,2019, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
-gmx_add_unit_test(ListedForcesTest listed-forces-test
+gmx_add_unit_test(ListedForcesTest listed_forces-test
bonded.cpp)
* Implements test of bonded force routines
*
* \author David van der Spoel <david.vanderspoel@icm.uu.se>
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#include "gmxpre.h"
-#include "gromacs/listed-forces/bonded.h"
+#include "gromacs/listed_forces/bonded.h"
#include <cmath>
#include <gtest/gtest.h>
-#include "gromacs/listed-forces/listed-forces.h"
+#include "gromacs/listed_forces/listed_forces.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*
* \author Mark Abraham <mark.j.abraham@gmail.com>
*
- * \ingroup module_listed-forces
+ * \ingroup module_listed_forces
*/
#ifndef GMX_LISTED_FORCES_UTILITIES_H
#define GMX_LISTED_FORCES_UTILITIES_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/gmxlib/chargegroup.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/orires.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gmxlib/nonbonded/nonbonded.h"
-#include "gromacs/listed-forces/listed-forces.h"
+#include "gromacs/listed_forces/listed_forces.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vecdump.h"
#include "gromacs/mdlib/force_flags.h"
#include "gromacs/gmxlib/nonbonded/nonbonded.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/hardware/hw_info.h"
-#include "gromacs/listed-forces/gpubonded.h"
-#include "gromacs/listed-forces/manage-threading.h"
-#include "gromacs/listed-forces/pairs.h"
+#include "gromacs/listed_forces/gpubonded.h"
+#include "gromacs/listed_forces/manage-threading.h"
+#include "gromacs/listed_forces/pairs.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxlib/network.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/orires.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdlib/shellfc.h"
#include "gromacs/gmxlib/nonbonded/nonbonded.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/imd/imd.h"
-#include "gromacs/listed-forces/bonded.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/gpubonded.h"
-#include "gromacs/listed-forces/manage-threading.h"
-#include "gromacs/listed-forces/orires.h"
+#include "gromacs/listed_forces/bonded.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/gpubonded.h"
+#include "gromacs/listed_forces/manage-threading.h"
+#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/orires.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/invertmatrix.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/imd/imd.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/imd/imd.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/imd/imd.h"
#include "gromacs/linearalgebra/sparsematrix.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/imd/imd.h"
-#include "gromacs/listed-forces/manage-threading.h"
+#include "gromacs/listed_forces/manage-threading.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#include "gromacs/hardware/cpuinfo.h"
#include "gromacs/hardware/detecthardware.h"
#include "gromacs/hardware/printhardware.h"
-#include "gromacs/listed-forces/disre.h"
-#include "gromacs/listed-forces/gpubonded.h"
-#include "gromacs/listed-forces/orires.h"
+#include "gromacs/listed_forces/disre.h"
+#include "gromacs/listed_forces/gpubonded.h"
+#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"