Additionally, the following file is generated by the build system:
:file:`baseversion-gen.cpp`
- Provides definitions for declarations in :file:`baseversion-gen.h` for
+ Provides definitions for declarations in :file:`baseversion_gen.h` for
version info output. The contents are generated either from Git version
info, or from static version info if not building from a git repository.
modules, using ``gmx_install_headers()``.
* All source files must include "gmxpre.h" as the first header.
* A source/header file should include "config.h," "gromacs/simd/simd.h",
- or "gromacs/ewald/pme-simd.h" if and only if it uses a macro declared
+ or "gromacs/ewald/pme_simd.h" if and only if it uses a macro declared
in such files.
* If the file has a git attribute to identify it as a candidate for include
sorting, the include sorter described below should not produce any
readability and/or usability of the API, but this should then be clearly
documented.
- There can also be a :file:`{file}-impl.h` file that declares classes or
+ There can also be a :file:`{file}_impl.h` file that declares classes or
functions that are not accessible outside the module. If the whole file only
- declares symbols internal to the module, then the :file:`-impl.h` suffix is
+ declares symbols internal to the module, then the :file:`_impl.h` suffix is
omitted.
In most cases, declarations that are not used outside a single source file
#
# 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.
be checked."""
return (self._files['src/config.h'],
self._files['src/gromacs/simd/simd.h'],
- self._files['src/gromacs/ewald/pme-simd.h'],
+ self._files['src/gromacs/ewald/pme_simd.h'],
self._files['src/gromacs/mdlib/nbnxn_simd.h'])
`make check-source` checks the whole code for the use of symbols defined
in `gromacs/simd/simd.h` and requires that files using those symbols
do the correct include. Similar checking is done for higher-level
-SIMD-management headers, e.g. `gromacs/ewald/pme-simd.h`.
+SIMD-management headers, e.g. `gromacs/ewald/pme_simd.h`.
The SIMD math library
# Exclude header files that are used for inlining code; the responsibility for
# making the right #includes should be on the source file that uses these.
# TODO: # Stop using the preprocessor for meta-programming!
-src/gromacs/ewald/pme-simd4.h: warning: should include "pme-simd.h"
-src/gromacs/ewald/pme-spline-work.cpp: warning: includes "simd.h" unnecessarily
-src/gromacs/ewald/pme-spline-work.h: warning: includes "simd.h" unnecessarily
-src/gromacs/ewald/pme-spread.cpp: warning: includes "simd.h" unnecessarily
+src/gromacs/ewald/pme_simd4.h: warning: should include "pme_simd.h"
+src/gromacs/ewald/pme_spline_work.cpp: warning: includes "simd.h" unnecessarily
+src/gromacs/ewald/pme_spline_work.h: warning: includes "simd.h" unnecessarily
+src/gromacs/ewald/pme_spread.cpp: warning: includes "simd.h" unnecessarily
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_inner.h: warning: should include "simd.h"
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_outer.h: warning: should include "simd.h"
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_inner.h: warning: should include "simd.h"
#include "gmxapi/status.h"
#include "gmxapi/version.h"
-#include "context-impl.h"
+#include "context_impl.h"
#include "createsession.h"
-#include "session-impl.h"
+#include "session_impl.h"
#include "workflow.h"
namespace gmxapi
/*
* 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.
#include "gmxapi/gmxapi.h"
#include "gmxapi/md/mdmodule.h"
-#include "md-impl.h"
+#include "md_impl.h"
namespace gmxapi
{
/*
* 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.
#include "gmxapi/session.h"
#include "gmxapi/md/mdsignals.h"
-#include "session-impl.h"
+#include "session_impl.h"
namespace gmxapi
{
#include "createsession.h"
#include "mdsignals.h"
-#include "session-impl.h"
+#include "session_impl.h"
#include "sessionresources.h"
namespace gmxapi
/*
* 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.
// Forward declaration
class MpiContextManager; // Locally defined in session.cpp
class ContextImpl; // locally defined in context.cpp
-class SignalManager; // defined in mdsignals-impl.h
+class SignalManager; // defined in mdsignals_impl.h
/*!
* \brief Implementation class for executing sessions.
#include "gmxapi/status.h"
#include "gmxapi/system.h"
-#include "system-impl.h"
+#include "system_impl.h"
#include "workflow.h"
namespace gmxapi
/*
* 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.
#include "gromacs/utility/gmxassert.h"
-#include "workflow-impl.h"
+#include "workflow_impl.h"
namespace gmxapi
{
#include <memory>
#include "api/cpp/workflow.h"
-#include "api/cpp/workflow-impl.h"
+#include "api/cpp/workflow_impl.h"
#include "api/cpp/include/gmxapi/context.h"
#include "api/cpp/include/gmxapi/status.h"
#include "api/cpp/include/gmxapi/system.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.
add_subdirectory(gmxlib)
add_subdirectory(mdlib)
-add_subdirectory(applied-forces)
+add_subdirectory(applied_forces)
add_subdirectory(listed_forces)
add_subdirectory(commandline)
add_subdirectory(domdec)
# Install the PME source and headers
file(GLOB OPENCL_INSTALLED_FILES
- ewald/pme-spread.clh
- ewald/pme-solve.clh
- ewald/pme-gather.clh
- ewald/pme-gpu-utils.clh
- ewald/pme-program.cl
- ewald/pme-gpu-types.h
+ ewald/pme_spread.clh
+ ewald/pme_solve.clh
+ ewald/pme_gather.clh
+ ewald/pme_gpu_utils.clh
+ ewald/pme_program.cl
+ ewald/pme_gpu_types.h
)
install(FILES ${OPENCL_INSTALLED_FILES}
DESTINATION ${GMX_INSTALL_OCLDIR}/gromacs/ewald
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,2019, 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2019, 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.
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,2019, 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(AppliedForcesUnitTest applied-forces-test
+gmx_add_unit_test(AppliedForcesUnitTest applied_forces-test
electricfield.cpp
)
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "gmxpre.h"
-#include "gromacs/applied-forces/electricfield.h"
+#include "gromacs/applied_forces/electricfield.h"
#include <gtest/gtest.h>
#include "gromacs/fileio/enxio.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/units.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/mdtypes/inputrec.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pulling/pull.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/math/functions.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <vector>
#include "gromacs/gmxlib/network.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/stringutil.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/gmxlib/network.h"
#include "gromacs/math/utilities.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/simd/simd.h"
#include "gromacs/simd/simd_math.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <cmath>
#include "gromacs/awh/awh.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/trajectory/energyframe.h"
#include "gromacs/utility/gmxassert.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/math/utilities.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/random/threefry.h"
#include "gromacs/random/uniformrealdistribution.h"
#include "gromacs/utility/arrayref.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <cassert>
#include "gromacs/gmxlib/network.h"
-#include "gromacs/mdtypes/awh-correlation-history.h"
+#include "gromacs/mdtypes/awh_correlation_history.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/math/functions.h"
#include "gromacs/math/utilities.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <cmath>
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/gmxassert.h"
#include "biasparams.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 "gmxpre.h"
-#include "read-params.h"
+#include "read_params.h"
#include "gromacs/awh/awh.h"
#include "gromacs/fileio/readinp.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pulling/pull.h"
#include "gromacs/random/seed.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * 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/awh/correlationgrid.h"
#include "gromacs/awh/pointstate.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "gromacs/awh/grid.h"
#include "gromacs/awh/pointstate.h"
#include "gromacs/math/functions.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/smalloc.h"
#include "testutils/testasserts.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <gmock/gmock.h>
#include <gtest/gtest.h>
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/gmxassert.h"
#include "testutils/testasserts.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2018,2019, 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/onlinehelp/ihelptopic.h"
#include "gromacs/utility/classhelpers.h"
-#include "cmdlinemodulemanager-impl.h"
+#include "cmdlinemodulemanager_impl.h"
namespace gmx
{
/*
* 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/utility/sysinfo.h"
#include "cmdlinehelpmodule.h"
-#include "cmdlinemodulemanager-impl.h"
+#include "cmdlinemodulemanager_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2019, 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.
#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"
#
# 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.
# the research papers on the package. Check out http://www.gromacs.org.
gmx_add_libgromacs_sources(
- calculate-spline-moduli.cpp
+ calculate_spline_moduli.cpp
ewald.cpp
- ewald-utils.cpp
- long-range-correction.cpp
+ ewald_utils.cpp
+ long_range_correction.cpp
pme.cpp
- pme-gather.cpp
- pme-grid.cpp
- pme-load-balancing.cpp
- pme-only.cpp
- pme-pp.cpp
- pme-redistribute.cpp
- pme-solve.cpp
- pme-spline-work.cpp
- pme-spread.cpp
+ pme_gather.cpp
+ pme_grid.cpp
+ pme_load_balancing.cpp
+ pme_only.cpp
+ pme_pp.cpp
+ pme_redistribute.cpp
+ pme_solve.cpp
+ pme_spline_work.cpp
+ pme_spread.cpp
# Files that implement stubs
- pme-gpu-program.cpp
+ pme_gpu_program.cpp
)
if (GMX_USE_CUDA)
gmx_add_libgromacs_sources(
# CUDA-specific sources
- pme-gather.cu
- pme-gpu-3dfft.cu
- pme-solve.cu
- pme-spread.cu
- pme-gpu-program-impl.cu
+ pme_gather.cu
+ pme_gpu_3dfft.cu
+ pme_solve.cu
+ pme_spread.cu
+ pme_gpu_program_impl.cu
# GPU-specific sources
- pme-gpu.cpp
- pme-gpu-internal.cpp
- pme-gpu-timings.cpp
+ pme_gpu.cpp
+ pme_gpu_internal.cpp
+ pme_gpu_timings.cpp
)
gmx_compile_cpp_as_cuda(
- pme-gpu-internal.cpp
- pme-gpu-program.cpp
- pme-gpu-timings.cpp
+ pme_gpu_internal.cpp
+ pme_gpu_program.cpp
+ pme_gpu_timings.cpp
)
elseif (GMX_USE_OPENCL)
gmx_add_libgromacs_sources(
# OpenCL-specific sources
- pme-gpu-3dfft-ocl.cpp
- pme-gpu-program-impl-ocl.cpp
+ pme_gpu_3dfft_ocl.cpp
+ pme_gpu_program_impl_ocl.cpp
# GPU-specific sources
- pme-gpu.cpp
- pme-gpu-internal.cpp
- pme-gpu-timings.cpp
+ pme_gpu.cpp
+ pme_gpu_internal.cpp
+ pme_gpu_timings.cpp
)
else()
gmx_add_libgromacs_sources(
# Files that implement stubs
- pme-gpu-program-impl.cpp
+ pme_gpu_program_impl.cpp
)
endif()
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2019, 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.
*/
#include "gmxpre.h"
-#include "calculate-spline-moduli.h"
+#include "calculate_spline_moduli.h"
#include <cmath>
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
static void make_dft_mod(real *mod,
const double *data, int splineOrder, int ndata)
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2019, 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.
#ifndef GMX_EWALD_CALCULATE_SPLINE_MODULI_H
#define GMX_EWALD_CALCULATE_SPLINE_MODULI_H
-#include "pme-internal.h"
+#include "pme_internal.h"
/* Calulate plain SPME B-spline interpolation */
void make_bspline_moduli(splinevec bsp_mod,
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2018,2019, 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.
#include <algorithm>
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/gmxcomplex.h"
#include "gromacs/math/units.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.
*/
#include "gmxpre.h"
-#include "ewald-utils.h"
+#include "ewald_utils.h"
#include <cmath>
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2017,2019, 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.
*
* 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 "gmxpre.h"
-#include "long-range-correction.h"
+#include "long_range_correction.h"
#include <cmath>
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
/* There's nothing special to do here if just masses are perturbed,
* but if either charge or type is perturbed then the implementation
*
* 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.
#include <list>
#include "gromacs/domdec/domdec.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/fft/parallel_3dfft.h"
#include "gromacs/fileio/pdbio.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/unique_cptr.h"
-#include "calculate-spline-moduli.h"
-#include "pme-gather.h"
-#include "pme-gpu-internal.h"
-#include "pme-grid.h"
-#include "pme-internal.h"
-#include "pme-redistribute.h"
-#include "pme-solve.h"
-#include "pme-spline-work.h"
-#include "pme-spread.h"
+#include "calculate_spline_moduli.h"
+#include "pme_gather.h"
+#include "pme_gpu_internal.h"
+#include "pme_grid.h"
+#include "pme_internal.h"
+#include "pme_redistribute.h"
+#include "pme_solve.h"
+#include "pme_spline_work.h"
+#include "pme_spread.h"
/*! \brief Help build a descriptive message in \c error if there are
* \c errorReasons why PME on GPU is not supported.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/math/vectypes.h" // for DIM
-#include "pme-gpu-constants.h"
-#include "pme-gpu-internal.h" // for GridOrdering
-#include "pme-gpu-types.h"
+#include "pme_gpu_constants.h"
+#include "pme_gpu_internal.h" // for GridOrdering
+#include "pme_gpu_types.h"
/*! \brief \internal
* A single structure encompassing all the PME data used in CUDA kernels.
/*
* 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.
* \brief Implements PME OpenCL force gathering kernel.
* When including this and other PME OpenCL kernel files, plenty of common
* constants/macros are expected to be defined (such as "order" which is PME interpolation order).
- * For details, please see how pme-program.cl is compiled in pme-gpu-program-impl-ocl.cpp.
+ * For details, please see how pme_program.cl is compiled in pme_gpu_program_impl_ocl.cpp.
*
* This file's kernels specifically expect the following definitions:
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
*/
-#include "pme-gpu-types.h"
-#include "pme-gpu-utils.clh"
+#include "pme_gpu_types.h"
+#include "pme_gpu_utils.clh"
#ifndef COMPILE_GATHER_HELPERS_ONCE
#define COMPILE_GATHER_HELPERS_ONCE
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2018,2019, 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.
#include "gmxpre.h"
-#include "pme-gather.h"
+#include "pme_gather.h"
#include "gromacs/math/vec.h"
#include "gromacs/simd/simd.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/typetraits.h"
-#include "pme-internal.h"
-#include "pme-simd.h"
-#include "pme-spline-work.h"
+#include "pme_internal.h"
+#include "pme_simd.h"
+#include "pme_spline_work.h"
using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <cassert>
#include "pme.cuh"
-#include "pme-gpu-utils.h"
+#include "pme_gpu_utils.h"
/*! \brief
* An inline CUDA function: unroll the dynamic index accesses to the constant grid sizes to avoid local memory operations.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
#include "gromacs/utility/real.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
void
gather_f_bsplines(const struct gmx_pme_t *pme, const real *grid,
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <list>
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/fft/parallel_3dfft.h"
#include "gromacs/math/invertmatrix.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
-#include "pme-gpu-internal.h"
-#include "pme-grid.h"
-#include "pme-internal.h"
-#include "pme-solve.h"
+#include "pme_gpu_internal.h"
+#include "pme_grid.h"
+#include "pme_internal.h"
+#include "pme_solve.h"
void pme_gpu_reset_timings(const gmx_pme_t *pme)
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "gmxpre.h"
-#include "pme-gpu-3dfft.h"
+#include "pme_gpu_3dfft.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "pme.cuh"
-#include "pme-gpu-types.h"
-#include "pme-gpu-types-host.h"
-#include "pme-gpu-types-host-impl.h"
+#include "pme_gpu_types.h"
+#include "pme_gpu_types_host.h"
+#include "pme_gpu_types_host_impl.h"
static void handleCufftError(cufftResult_t status, const char *msg)
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
-#include "pme-gpu-3dfft.h"
-#include "pme-gpu-internal.h"
-#include "pme-gpu-types.h"
-#include "pme-gpu-types-host-impl.h"
+#include "pme_gpu_3dfft.h"
+#include "pme_gpu_internal.h"
+#include "pme_gpu_types.h"
+#include "pme_gpu_types_host_impl.h"
//! Throws the exception on clFFT error
static void handleClfftError(clfftStatus status, const char *msg)
/*
* 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.
#include "gmxpre.h"
-#include "pme-gpu-internal.h"
+#include "pme_gpu_internal.h"
#include "config.h"
#include <memory>
#include <string>
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/invertmatrix.h"
#include "gromacs/math/units.h"
#include "gromacs/ewald/pme.h"
-#include "pme-gpu-3dfft.h"
-#include "pme-gpu-constants.h"
-#include "pme-gpu-program-impl.h"
-#include "pme-gpu-timings.h"
-#include "pme-gpu-types.h"
-#include "pme-gpu-types-host.h"
-#include "pme-gpu-types-host-impl.h"
-#include "pme-gpu-utils.h"
-#include "pme-grid.h"
-#include "pme-internal.h"
-#include "pme-solve.h"
+#include "pme_gpu_3dfft.h"
+#include "pme_gpu_constants.h"
+#include "pme_gpu_program_impl.h"
+#include "pme_gpu_timings.h"
+#include "pme_gpu_types.h"
+#include "pme_gpu_types_host.h"
+#include "pme_gpu_types_host_impl.h"
+#include "pme_gpu_utils.h"
+#include "pme_grid.h"
+#include "pme_internal.h"
+#include "pme_solve.h"
/*! \internal \brief
* Wrapper for getting a pointer to the plain C++ part of the GPU kernel parameters structure.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
*
* \brief This file contains internal function definitions for performing the PME calculations on GPU.
* These are not meant to be exposed outside of the PME GPU code.
- * As of now, their bodies are still in the common pme-gpu.cpp files.
+ * As of now, their bodies are still in the common pme_gpu.cpp files.
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
* \ingroup module_ewald
#include "gromacs/gpu_utils/gpu_macros.h" // for the GPU_FUNC_ macros
#include "gromacs/utility/arrayref.h"
-#include "pme-gpu-types-host.h" // for the inline functions accessing PmeGpu members
+#include "pme_gpu_types_host.h" // for the inline functions accessing PmeGpu members
struct gmx_hw_info_t;
struct gmx_gpu_opt_t;
*/
void pme_gpu_destroy_3dfft(const PmeGpu *pmeGpu);
-/* Several GPU event-based timing functions that live in pme-gpu-timings.cpp */
+/* Several GPU event-based timing functions that live in pme_gpu_timings.cpp */
/*! \libinternal \brief
* Finalizes all the active PME GPU stage timings for the current computation. Should be called at the end of every computation.
return pmeGpu->settings.copyAllOutputs;
}
-/* A block of C++ functions that live in pme-gpu-internal.cpp */
+/* A block of C++ functions that live in pme_gpu_internal.cpp */
/*! \libinternal \brief
* Returns the energy and virial GPU outputs, useful for testing.
#include "gmxpre.h"
-#include "pme-gpu-program.h"
+#include "pme_gpu_program.h"
#include <memory>
-#include "pme-gpu-program-impl.h"
+#include "pme_gpu_program_impl.h"
PmeGpuProgram::PmeGpuProgram(const gmx_device_info_t *deviceInfo) :
impl_(std::make_unique<PmeGpuProgramImpl>(deviceInfo))
/*
* 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.
/*
* 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.
#include "gmxpre.h"
-#include "pme-gpu-program-impl.h"
+#include "pme_gpu_program_impl.h"
PmeGpuProgramImpl::PmeGpuProgramImpl(const gmx_device_info_t * /*unused*/) :
warpSize(0),
/*
* 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.
*/
#include "gmxpre.h"
-#include "pme-gpu-program-impl.h"
+#include "pme_gpu_program_impl.h"
-#include "pme-gpu-constants.h"
-#include "pme-gpu-internal.h" // for GridOrdering enum
-#include "pme-gpu-types-host.h"
+#include "pme_gpu_constants.h"
+#include "pme_gpu_internal.h" // for GridOrdering enum
+#include "pme_gpu_types_host.h"
// PME interpolation order
constexpr int c_pmeOrder = 4;
/*
* 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.
/*
* 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.
#include "gromacs/gpu_utils/ocl_compiler.h"
#include "gromacs/utility/stringutil.h"
-#include "pme-gpu-constants.h"
-#include "pme-gpu-internal.h" // for GridOrdering enum
-#include "pme-gpu-program-impl.h"
-#include "pme-gpu-types-host.h"
-#include "pme-grid.h"
+#include "pme_gpu_constants.h"
+#include "pme_gpu_internal.h" // for GridOrdering enum
+#include "pme_gpu_program_impl.h"
+#include "pme_gpu_types_host.h"
+#include "pme_grid.h"
PmeGpuProgramImpl::PmeGpuProgramImpl(const gmx_device_info_t *deviceInfo)
{
"-Dorder=%d "
"-DatomsPerWarp=%zd "
"-DthreadsPerAtom=%d "
- // forwarding from pme-grid.h, used for spline computation table sizes only
+ // forwarding from pme_grid.h, used for spline computation table sizes only
"-Dc_pmeMaxUnitcellShift=%f "
- // forwarding PME behavior constants from pme-gpu-constants.h
+ // forwarding PME behavior constants from pme_gpu_constants.h
"-Dc_usePadding=%d "
"-Dc_skipNeutralAtoms=%d "
"-Dc_virialAndEnergyCount=%d "
the log output here should be written there */
program = gmx::ocl::compileProgram(stderr,
"gromacs/ewald",
- "pme-program.cl",
+ "pme_program.cl",
commonDefines,
context,
deviceInfo->ocl_gpu_id.ocl_device_id,
GMX_THROW(gmx::InternalError(errorString));
}
- // The names below must correspond to those defined in pme-program.cl
+ // The names below must correspond to those defined in pme_program.cl
// TODO use a map with string key instead?
if (!strcmp(kernelNamesBuffer.data(), "pmeSplineKernel"))
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "gmxpre.h"
-#include "pme-gpu-timings.h"
+#include "pme_gpu_timings.h"
#include "gromacs/utility/gmxassert.h"
-#include "pme-gpu-internal.h"
-#include "pme-gpu-types-host.h"
-#include "pme-gpu-types-host-impl.h"
+#include "pme_gpu_internal.h"
+#include "pme_gpu_types_host.h"
+#include "pme_gpu_types_host_impl.h"
/*! \brief
* Tells if CUDA-based performance tracking is enabled for PME.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <vector>
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-gpu-program.h"
+#include "gromacs/ewald/pme_gpu_program.h"
#include "gromacs/gpu_utils/gpu_utils.h" // for GpuApiCallBehavior
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vectypes.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.
/*! \internal \file
* \brief Defines the host-side PME GPU data structure, which is dependent on the GPU types.
- * It's included by pointer in the general PmeGpu host structure in pme-gpu-types-host.h.
+ * It's included by pointer in the general PmeGpu host structure in pme_gpu_types_host.h.
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
* \ingroup module_ewald
/*
* 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.
/*! \internal \file
* \brief This file defines the small PME OpenCL inline device functions.
- * This closely mirrors pme-gpu-utils.h (which is used in CUDA and unit tests), except with no templates.
+ * This closely mirrors pme_gpu_utils.h (which is used in CUDA and unit tests), except with no templates.
* Instead of templated parameters this file expects following defines during compilation:
* - order - PME interpolation order;
* - atomsPerWarp - number of atoms processed by a warp (fixed for spread and gather kernels to be the same);
- * - c_usePadding and c_skipNeutralAtoms - same as in pme-gpu-constants.h.
+ * - c_usePadding and c_skipNeutralAtoms - same as in pme_gpu_constants.h.
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
* \ingroup module_ewald
/*
* 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.
/*! \internal \file
* \brief This file defines small PME GPU inline host/device functions.
* Note that OpenCL device-side functions can't use C++ features, so they are
- * located in a similar file pme-gpu-utils.clh.
+ * located in a similar file pme_gpu_utils.clh.
* Be sure to keep the logic in sync in both files when changing it!
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
#include <cassert>
-#include "pme-gpu-constants.h"
+#include "pme_gpu_constants.h"
//! A macro for inline GPU functions.
#if GMX_GPU == GMX_GPU_CUDA
*
* 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.
/* TODO find out what this file should be called */
#include "gmxpre.h"
-#include "pme-grid.h"
+#include "pme_grid.h"
#include "config.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
#ifdef DEBUG_PME
#include "gromacs/fileio/pdbio.h"
#include "gromacs/utility/futil.h"
#endif
-#include "pme-simd.h"
+#include "pme_simd.h"
/* GMX_CACHE_SEP should be a multiple of the SIMD and SIMD4 register size
* to preserve alignment.
/*
* 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.
*
* 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/utility/basedefinitions.h"
#include "gromacs/utility/gmxmpi.h"
-#include "pme-gpu-types-host.h"
+#include "pme_gpu_types_host.h"
//! A repeat of typedef from parallel_3dfft.h
typedef struct gmx_parallel_3dfft *gmx_parallel_3dfft_t;
*/
#include "gmxpre.h"
-#include "pme-load-balancing.h"
+#include "pme_load_balancing.h"
#include <cassert>
#include <cmath>
#include "gromacs/domdec/domdec_network.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/domdec/partition.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/fft/calcgrid.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/strconvert.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
/*! \brief Parameters and settings for one PP-PME setup */
struct pme_setup_t {
/*
* 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/utility/gmxomp.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-gpu-internal.h"
-#include "pme-internal.h"
-#include "pme-pp-communication.h"
+#include "pme_gpu_internal.h"
+#include "pme_internal.h"
+#include "pme_pp_communication.h"
//! Contains information about the PP ranks that partner this PME rank.
struct PpRanks
*
* 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/utility/gmxmpi.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-internal.h"
-#include "pme-pp-communication.h"
+#include "pme_internal.h"
+#include "pme_pp_communication.h"
/*! \brief Block to wait for communication to PME ranks to complete
*
*
* 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.
/*
* 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.
* This file includes all the PME OpenCL kernel files multiple times, with additional defines.
* Plenty of common constants/macros are also expected to be already defined by the compiler
* (such as "order" which is PME interpolation order).
- * For details, please see how pme-program.cl is compiled in pme-gpu-program-impl-ocl.cpp.
+ * For details, please see how pme_program.cl is compiled in pme_gpu_program_impl_ocl.cpp.
*
* This file specifically expects the following work size definitions:
*
#define computeSplines 1
#define spreadCharges 1
#define CUSTOMIZED_KERNEL_NAME(x) pmeSplineAndSpreadKernel
-#include "pme-spread.clh"
+#include "pme_spread.clh"
#undef computeSplines
#undef spreadCharges
#undef CUSTOMIZED_KERNEL_NAME
#define computeSplines 1
#define spreadCharges 0
#define CUSTOMIZED_KERNEL_NAME(x) pmeSplineKernel
-#include "pme-spread.clh"
+#include "pme_spread.clh"
#undef computeSplines
#undef spreadCharges
#undef CUSTOMIZED_KERNEL_NAME
#define computeSplines 0
#define spreadCharges 1
#define CUSTOMIZED_KERNEL_NAME(x) pmeSpreadKernel
-#include "pme-spread.clh"
+#include "pme_spread.clh"
#undef computeSplines
#undef spreadCharges
#undef CUSTOMIZED_KERNEL_NAME
// gather
#define overwriteForces 1
#define CUSTOMIZED_KERNEL_NAME(x) pmeGatherKernel
-#include "pme-gather.clh"
+#include "pme_gather.clh"
#undef overwriteForces
#undef CUSTOMIZED_KERNEL_NAME
// gather with reduction
#define overwriteForces 0
#define CUSTOMIZED_KERNEL_NAME(x) pmeGatherReduceWithInputKernel
-#include "pme-gather.clh"
+#include "pme_gather.clh"
#undef overwriteForces
#undef CUSTOMIZED_KERNEL_NAME
#define gridOrdering YZX
#define computeEnergyAndVirial 0
#define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXKernel
-#include "pme-solve.clh"
+#include "pme_solve.clh"
#undef gridOrdering
#undef computeEnergyAndVirial
#undef CUSTOMIZED_KERNEL_NAME
#define gridOrdering YZX
#define computeEnergyAndVirial 1
#define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXEnergyKernel
-#include "pme-solve.clh"
+#include "pme_solve.clh"
#undef gridOrdering
#undef computeEnergyAndVirial
#undef CUSTOMIZED_KERNEL_NAME
#define gridOrdering XYZ
#define computeEnergyAndVirial 0
#define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZKernel
-#include "pme-solve.clh"
+#include "pme_solve.clh"
#undef gridOrdering
#undef computeEnergyAndVirial
#undef CUSTOMIZED_KERNEL_NAME
#define gridOrdering XYZ
#define computeEnergyAndVirial 1
#define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZEnergyKernel
-#include "pme-solve.clh"
+#include "pme_solve.clh"
#undef gridOrdering
#undef computeEnergyAndVirial
#undef CUSTOMIZED_KERNEL_NAME
*
* 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.
*/
#include "gmxpre.h"
-#include "pme-redistribute.h"
+#include "pme_redistribute.h"
#include "config.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-internal.h"
-#include "pme-simd.h"
+#include "pme_internal.h"
+#include "pme_simd.h"
static void pme_calc_pidx(int start, int end,
matrix recipbox, rvec x[],
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018,2019, 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.
#ifndef GMX_EWALD_PME_REDISTRIBUTE_H
#define GMX_EWALD_PME_REDISTRIBUTE_H
-#include "pme-internal.h"
+#include "pme_internal.h"
void
pme_realloc_atomcomm_things(pme_atomcomm_t *atc);
/*
* 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.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2013,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2017,2018,2019, 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.
/*
* 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.
* \brief Implements PME OpenCL solving kernel.
* When including this and other PME OpenCL kernel files, plenty of common
* constants/macros are expected to be defined.
- * For details, please see how pme-program.cl is compiled in pme-gpu-program-impl-ocl.cpp.
+ * For details, please see how pme_program.cl is compiled in pme_gpu_program_impl_ocl.cpp.
*
* This file's solving kernel specifically expects the following definitions for its flavors:
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
*/
-#include "pme-gpu-types.h"
+#include "pme_gpu_types.h"
#include "gromacs/gpu_utils/vectype_ops.clh"
/*! \brief
*
* 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 "gmxpre.h"
-#include "pme-solve.h"
+#include "pme_solve.h"
#include <cmath>
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
#if GMX_SIMD_HAVE_REAL
/* Turn on arbitrary width SIMD intrinsics for PME solve */
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* 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.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2018,2019, 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.
#include "gmxpre.h"
-#include "pme-spline-work.h"
+#include "pme_spline_work.h"
#include "gromacs/simd/simd.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-simd.h"
+#include "pme_simd.h"
using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018,2019, 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/simd/simd.h"
-#include "pme-simd.h"
+#include "pme_simd.h"
struct pme_spline_work
{
/*
* 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.
* \brief Implements PME OpenCL spline parameter computation and charge spread kernels.
* When including this and other PME OpenCL kernel files, plenty of common
* constants/macros are expected to be defined (such as "order" which is PME interpolation order).
- * For details, please see how pme-program.cl is compiled in pme-gpu-program-impl-ocl.cpp.
+ * For details, please see how pme_program.cl is compiled in pme_gpu_program_impl_ocl.cpp.
*
* This file's kernels specifically expect the following definitions:
*
* \author Aleksei Iupinov <a.yupinov@gmail.com>
*/
-#include "pme-gpu-types.h"
-#include "pme-gpu-utils.clh"
+#include "pme_gpu_types.h"
+#include "pme_gpu_utils.clh"
#include "gromacs/gpu_utils/vectype_ops.clh"
/*
*
* 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 "gmxpre.h"
-#include "pme-spread.h"
+#include "pme_spread.h"
#include "config.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
-#include "pme-grid.h"
-#include "pme-internal.h"
-#include "pme-simd.h"
-#include "pme-spline-work.h"
+#include "pme_grid.h"
+#include "pme_internal.h"
+#include "pme_simd.h"
+#include "pme_spline_work.h"
/* TODO consider split of pme-spline from this file */
#define PME_SPREAD_SIMD4_ALIGNED
#define PME_ORDER 4
#endif
-#include "pme-simd4.h"
+#include "pme_simd4.h"
#else
DO_BSPLINE(4);
#endif
#ifdef PME_SIMD4_SPREAD_GATHER
#define PME_SPREAD_SIMD4_ALIGNED
#define PME_ORDER 5
-#include "pme-simd4.h"
+#include "pme_simd4.h"
#else
DO_BSPLINE(5);
#endif
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013-2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013-2016,2017,2018,2019, 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/gpu_utils/cuda_kernel_utils.cuh"
#include "pme.cuh"
-#include "pme-gpu-utils.h"
-#include "pme-grid.h"
+#include "pme_gpu_utils.h"
+#include "pme_grid.h"
/*
* This define affects the spline calculation behaviour in the kernel.
*
* 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.
#include "gromacs/utility/real.h"
-#include "pme-internal.h"
+#include "pme_internal.h"
void
spread_on_grid(const gmx_pme_t *pme,
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <gmock/gmock.h>
-#include "gromacs/ewald/pme-internal.h"
+#include "gromacs/ewald/pme_internal.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/utility/stringutil.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/domdec/domdec.h"
-#include "gromacs/ewald/pme-gather.h"
-#include "gromacs/ewald/pme-gpu-internal.h"
-#include "gromacs/ewald/pme-grid.h"
-#include "gromacs/ewald/pme-internal.h"
-#include "gromacs/ewald/pme-solve.h"
-#include "gromacs/ewald/pme-spread.h"
+#include "gromacs/ewald/pme_gather.h"
+#include "gromacs/ewald/pme_gpu_internal.h"
+#include "gromacs/ewald/pme_grid.h"
+#include "gromacs/ewald/pme_internal.h"
+#include "gromacs/ewald/pme_solve.h"
+#include "gromacs/ewald/pme_spread.h"
#include "gromacs/fft/parallel_3dfft.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/invertmatrix.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <gtest/gtest.h>
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-gpu-internal.h"
+#include "gromacs/ewald/pme_gpu_internal.h"
#include "gromacs/math/gmxcomplex.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/unique_cptr.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <gtest/gtest.h>
-#include "gromacs/ewald/pme-gpu-program.h"
+#include "gromacs/ewald/pme_gpu_program.h"
#include "gromacs/hardware/gpu_hw_info.h"
struct gmx_hw_info_t;
#include "buildinfo.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/fileio/xdr_datatype.h"
#include "gromacs/fileio/xdrf.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vecdump.h"
#include "gromacs/math/vectypes.h"
-#include "gromacs/mdtypes/awh-correlation-history.h"
-#include "gromacs/mdtypes/awh-history.h"
+#include "gromacs/mdtypes/awh_correlation_history.h"
+#include "gromacs/mdtypes/awh_history.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/df_history.h"
#include "gromacs/mdtypes/edsamhistory.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/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/fileio/xdrf.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/utility/mutex.h"
#include "gromacs/utility/smalloc.h"
-#include "gmxfio-impl.h"
+#include "gmxfio_impl.h"
/* This is the new improved and thread safe version of gmxfio. */
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2019, 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.
*/
#include "gmxpre.h"
-#include "gmxfio-xdr.h"
+#include "gmxfio_xdr.h"
#include <cstdio>
#include <cstring>
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
-#include "gmxfio-impl.h"
+#include "gmxfio_impl.h"
/* Enumerated for data types in files */
enum {
*
* 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) 2012,2013,2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2017,2019, 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.
*/
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/linearalgebra/sparsematrix.h"
#include "gromacs/utility/baseversion.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/pbcutil/boxutilities.h"
#include "gromacs/pbcutil/pbc.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.
#include <cstring>
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.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/filetypes.h"
#include "gromacs/fileio/g96io.h"
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/fileio/groio.h"
#include "gromacs/fileio/oenv.h"
#include "gromacs/fileio/pdbio.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.
#include <cstring>
#include "gromacs/fileio/gmxfio.h"
-#include "gromacs/fileio/gmxfio-xdr.h"
+#include "gromacs/fileio/gmxfio_xdr.h"
#include "gromacs/fileio/xdrf.h"
#include "gromacs/math/vec.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxana/gmx_ana.h"
#include "gromacs/math/units.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include <algorithm>
#include "gromacs/commandline/pargs.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/fft/calcgrid.h"
#include "gromacs/fileio/checkpoint.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/math/vec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/pulling/pull.h"
#include "gromacs/random/tabulatednormaldistribution.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015,2018,2019, 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.
/* This file is completely threadsafe - keep it that way! */
#include "gmxpre.h"
-#include "conformation-utilities.h"
+#include "conformation_utilities.h"
#include <cmath>
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2010,2014,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2014,2018,2019, 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) 2011,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2011,2014,2015,2017,2018,2019, 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.
#include <algorithm>
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include <memory>
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/topio.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include "gromacs/math/functions.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/gmxana/princ.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxlib/conformation_utilities.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/gmxpreprocess/gpp_nextnb.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/pgutil.h"
#include "gromacs/gmxpreprocess/add_par.h"
#include "gromacs/gmxpreprocess/fflibutil.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/resall.h"
#include <cmath>
#include <cstring>
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/topdirs.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include <cstdlib>
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/fatalerror.h"
#include <sys/types.h>
-#include "gromacs/awh/read-params.h"
+#include "gromacs/awh/read_params.h"
#include "gromacs/commandline/pargs.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/fft/calcgrid.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/gmxpreprocess/convparm.h"
#include "gromacs/gmxpreprocess/gen_maxwell_velocities.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/readir.h"
#include "gromacs/gmxpreprocess/tomorse.h"
*/
#include "gmxpre.h"
-#include "insert-molecules.h"
+#include "insert_molecules.h"
#include <algorithm>
#include <memory>
#include "gromacs/fileio/confio.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/fileio/xvgr.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxlib/conformation_utilities.h"
#include "gromacs/gmxpreprocess/makeexclusiondistances.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018,2019, 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/gmxpreprocess/fflibutil.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
#include "gromacs/gmxpreprocess/gpp_nextnb.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/pdb2top.h"
#include "gromacs/gmxpreprocess/toppush.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/pdbio.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxlib/conformation_utilities.h"
#include "gromacs/gmxpreprocess/fflibutil.h"
#include "gromacs/gmxpreprocess/genhydro.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/h_db.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/hizzie.h"
#include "gromacs/gmxpreprocess/gen_ad.h"
#include "gromacs/gmxpreprocess/gen_vsite.h"
#include "gromacs/gmxpreprocess/gpp_nextnb.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/h_db.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
#include <algorithm>
#include <string>
-#include "gromacs/awh/read-params.h"
+#include "gromacs/awh/read_params.h"
#include "gromacs/fileio/readinp.h"
#include "gromacs/fileio/warninp.h"
#include "gromacs/gmxlib/chargegroup.h"
#include "gromacs/mdrunutility/mdmodules.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/options/options.h"
#include "gromacs/options/treesupport.h"
#include "gromacs/pbcutil/pbc.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/mdlib/mdrun.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pulling/pull.h"
#include "gromacs/topology/topology.h"
#include "gromacs/gmxpreprocess/fflibutil.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/pgutil.h"
#include "gromacs/commandline/pargs.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/fileio/pdbio.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxlib/conformation_utilities.h"
#include "gromacs/gmxpreprocess/makeexclusiondistances.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/gmxpreprocess/fflibutil.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/h_db.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/notset.h"
gmx_add_unit_test(GmxPreprocessTests gmxpreprocess-test
genconf.cpp
- insert-molecules.cpp
+ insert_molecules.cpp
readir.cpp
solvate.cpp
topdirs.cpp
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2019, 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.
*/
#include "gmxpre.h"
-#include "gromacs/gmxpreprocess/insert-molecules.h"
+#include "gromacs/gmxpreprocess/insert_molecules.h"
#include "testutils/cmdlinetest.h"
#include "testutils/refdata.h"
#include <cstring>
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
-/* Must correspond to the Directive enum in grompp-impl.h */
+/* Must correspond to the Directive enum in grompp_impl.h */
static gmx::EnumerationArray<Directive, const char *> directive_names
= { {
"defaults",
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
#include "gromacs/gmxpreprocess/gpp_bond_atomtype.h"
#include "gromacs/gmxpreprocess/gpp_nextnb.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/readir.h"
#include "gromacs/gmxpreprocess/topdirs.h"
#include "gromacs/gmxpreprocess/toppush.h"
#include "gromacs/fileio/warninp.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
#include "gromacs/gmxpreprocess/gpp_bond_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/readir.h"
#include "gromacs/gmxpreprocess/topdirs.h"
#include <cctype>
#include <cmath>
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/readir.h"
#include "gromacs/gmxpreprocess/topdirs.h"
#include <algorithm>
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/topdirs.h"
#include "gromacs/topology/block.h"
#include "gromacs/gmxpreprocess/add_par.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/notset.h"
#include "gromacs/gmxpreprocess/resall.h"
#include "gromacs/gmxpreprocess/toputil.h"
#include "gromacs/gmxpreprocess/gen_ad.h"
#include "gromacs/gmxpreprocess/gpp_atomtype.h"
#include "gromacs/gmxpreprocess/gpp_nextnb.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/gmxpreprocess/nm2type.h"
#include "gromacs/gmxpreprocess/notset.h"
#include <vector>
#include "gromacs/gmxpreprocess/fflibutil.h"
-#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/grompp_impl.h"
#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/topology/residuetypes.h"
#include "gromacs/topology/symtab.h"
} // namespace gmx
// Includes tests common to all allocation policies.
-#include "gromacs/utility/tests/alignedallocator-impl.h"
+#include "gromacs/utility/tests/alignedallocator_impl.h"
gmx_add_libgromacs_sources(
bonded.cpp
disre.cpp
- gpubonded-impl.cpp
+ gpubonded_impl.cpp
listed_forces.cpp
- listed-internal.cpp
- manage-threading.cpp
+ listed_internal.cpp
+ manage_threading.cpp
orires.cpp
pairs.cpp
- position-restraints.cpp
+ position_restraints.cpp
restcbt.cpp
)
if(GMX_USE_CUDA)
gmx_add_libgromacs_sources(
- gpubonded-impl.cu
+ gpubonded_impl.cu
gpubondedkernels.cu
)
endif()
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/pbcutil/mshift.h"
#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/pbcutil/pbc-simd.h"
+#include "gromacs/pbcutil/pbc_simd.h"
#include "gromacs/simd/simd.h"
#include "gromacs/simd/simd_math.h"
#include "gromacs/simd/vector_operations.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/smalloc.h"
-#include "listed-internal.h"
+#include "listed_internal.h"
#include "restcbt.h"
using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
#include "gmxpre.h"
-#include "gpubonded-impl.h"
+#include "gpubonded_impl.h"
#include "gromacs/gpu_utils/cudautils.cuh"
#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/gmxassert.h"
-#include "gpubonded-impl.h"
+#include "gpubonded_impl.h"
#if defined(_MSVC)
#include <limits>
#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/position_restraints.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/force.h"
#include "gromacs/mdlib/force_flags.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
-#include "listed-internal.h"
+#include "listed_internal.h"
#include "utilities.h"
struct BondedInteractions
*/
#include "gmxpre.h"
-#include "listed-internal.h"
+#include "listed_internal.h"
#include <cstdlib>
*/
#include "gmxpre.h"
-#include "manage-threading.h"
+#include "manage_threading.h"
#include "config.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
-#include "listed-internal.h"
+#include "listed_internal.h"
#include "utilities.h"
/*! \brief struct for passing all data required for a function type */
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/pbcutil/mshift.h"
#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/pbcutil/pbc-simd.h"
+#include "gromacs/pbcutil/pbc_simd.h"
#include "gromacs/simd/simd.h"
#include "gromacs/simd/simd_math.h"
#include "gromacs/simd/vector_operations.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
-#include "listed-internal.h"
+#include "listed_internal.h"
using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
#include "gmxpre.h"
-#include "position-restraints.h"
+#include "position_restraints.h"
#include <cassert>
#include <cmath>
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/mdrun.h"
#include "gromacs/mdlib/tgroup.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/symtab.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 <algorithm>
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.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) 2012,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015,2017,2018,2019, 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.
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/topology/topology.h"
static int div_nsteps(int nsteps, int nst)
#include "gromacs/domdec/domdec.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/ewald/ewald.h"
-#include "gromacs/ewald/long-range-correction.h"
+#include "gromacs/ewald/long_range_correction.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vecdump.h"
#include "gromacs/mdlib/force_flags.h"
-#include "gromacs/mdlib/forcerec-threading.h"
+#include "gromacs/mdlib/forcerec_threading.h"
#include "gromacs/mdlib/mdrun.h"
#include "gromacs/mdlib/ns.h"
#include "gromacs/mdlib/qmmm.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/ewald/ewald.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/gmxlib/network.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/manage_threading.h"
#include "gromacs/listed_forces/pairs.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/force.h"
-#include "gromacs/mdlib/forcerec-threading.h"
+#include "gromacs/mdlib/forcerec_threading.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdlib/md_support.h"
#include "gromacs/mdlib/nb_verlet.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018,2019, 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/mdtypes/md_enums.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/pbcutil/pbc-simd.h"
+#include "gromacs/pbcutil/pbc_simd.h"
#include "gromacs/simd/simd.h"
#include "gromacs/simd/simd_math.h"
#include "gromacs/simd/vector_operations.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"
/*
* 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.
#include "gromacs/domdec/domdec.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-load-balancing.h"
+#include "gromacs/ewald/pme_load_balancing.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/mdlib/nbnxn_gpu_data_mgmt.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/mdtypes/mdatom.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/pbcutil/pbc-simd.h"
+#include "gromacs/pbcutil/pbc_simd.h"
#include "gromacs/simd/simd.h"
#include "gromacs/simd/simd_math.h"
#include "gromacs/topology/idef.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/manage_threading.h"
#include "gromacs/listed_forces/orires.h"
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/functions.h"
#include "gromacs/domdec/partition.h"
#include "gromacs/essentialdynamics/edsam.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-load-balancing.h"
+#include "gromacs/ewald/pme_load_balancing.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/gmxlib/network.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/mdlib/update.h"
#include "gromacs/mdlib/vcm.h"
#include "gromacs/mdlib/vsite.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/df_history.h"
#include "gromacs/mdtypes/energyhistory.h"
#include "gromacs/domdec/partition.h"
#include "gromacs/essentialdynamics/edsam.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-load-balancing.h"
+#include "gromacs/ewald/pme_load_balancing.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/gmxlib/network.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/mdlib/update.h"
#include "gromacs/mdlib/vcm.h"
#include "gromacs/mdlib/vsite.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/df_history.h"
#include "gromacs/mdtypes/energyhistory.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/domdec/partition.h"
#include "gromacs/essentialdynamics/edsam.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-load-balancing.h"
+#include "gromacs/ewald/pme_load_balancing.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/gmxlib/network.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/mdlib/update.h"
#include "gromacs/mdlib/vcm.h"
#include "gromacs/mdlib/vsite.h"
-#include "gromacs/mdtypes/awh-history.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_history.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/df_history.h"
#include "gromacs/mdtypes/energyhistory.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/domdec/localatomsetmanager.h"
-#include "gromacs/ewald/ewald-utils.h"
+#include "gromacs/ewald/ewald_utils.h"
#include "gromacs/ewald/pme.h"
-#include "gromacs/ewald/pme-gpu-program.h"
+#include "gromacs/ewald/pme_gpu_program.h"
#include "gromacs/fileio/checkpoint.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/oenv.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxlib/chargegroup.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxlib/conformation_utilities.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/math/units.h"
#include <memory>
-#include "gromacs/applied-forces/electricfield.h"
+#include "gromacs/applied_forces/electricfield.h"
#include "gromacs/mdtypes/iforceprovider.h"
#include "gromacs/mdtypes/imdmodule.h"
#include "gromacs/mdtypes/imdoutputprovider.h"
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2016,2017, by the GROMACS development team, led by
+# Copyright (c) 2016,2017,2019, 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.
$<TARGET_OBJECTS:mdrunutility-test-shared>)
gmx_add_mpi_unit_test(MdrunUtilityMpiUnitTests mdrunutility-mpi-test 4
- threadaffinity-mpi.cpp
+ threadaffinity_mpi.cpp
$<TARGET_OBJECTS:mdrunutility-test-shared>)
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2019, 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 <vector>
-#include "gromacs/mdtypes/awh-correlation-history.h"
+#include "gromacs/mdtypes/awh_correlation_history.h"
#include "gromacs/utility/basedefinitions.h"
namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * 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) 2001-2010, The GROMACS development team.
- * Copyright (c) 2012,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015,2016,2017,2018,2019, 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/math/veccompare.h"
#include "gromacs/math/vecdump.h"
-#include "gromacs/mdtypes/awh-params.h"
+#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/utility/compare.h"
#include "gromacs/utility/cstringutil.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
*
* 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/math/paddedvector.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/veccompare.h"
-#include "gromacs/mdtypes/awh-history.h"
+#include "gromacs/mdtypes/awh_history.h"
#include "gromacs/mdtypes/df_history.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/mdtypes/swaphistory.h"
#include "gromacs/pbcutil/boxutilities.h"
#include "gromacs/pbcutil/pbc.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* 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.
#include "abstractsection.h"
-#include "options-impl.h"
+#include "options_impl.h"
namespace gmx
{
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
-#include "options-impl.h"
+#include "options_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2018,2019, 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.
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
-#include "options-impl.h"
+#include "options_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2012,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2012,2014,2015,2016,2018,2019, 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.
#include "gromacs/options/options.h"
#include "gromacs/options/optionsection.h"
-#include "options-impl.h"
+#include "options_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2019, 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.
*/
#include "gmxpre.h"
-#include "pbc-simd.h"
+#include "pbc_simd.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/pbc.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/mdrun.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.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.
#include <vector>
#include "gromacs/domdec/localatomset.h"
-#include "gromacs/mdtypes/pull-params.h"
+#include "gromacs/mdtypes/pull_params.h"
#include "gromacs/utility/gmxmpi.h"
/*! \brief Determines up to what local atom count a pull group gets processed single-threaded.
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/mdtypes/iforceprovider.h"
-#include "restraintmdmodule-impl.h"
+#include "restraintmdmodule_impl.h"
namespace gmx
{
/*
* 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "keywords.h"
#include "mempool.h"
#include "poscalc.h"
-#include "selectioncollection-impl.h"
+#include "selectioncollection_impl.h"
#include "selelem.h"
#include "selmethod.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "mempool.h"
#include "poscalc.h"
-#include "selectioncollection-impl.h"
+#include "selectioncollection_impl.h"
#include "selelem.h"
#include "selmethod.h"
#include "keywords.h"
#include "poscalc.h"
#include "scanner.h"
-#include "selectioncollection-impl.h"
+#include "selectioncollection_impl.h"
#include "selelem.h"
#include "selmethod.h"
#include "symrec.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2009,2010,2011,2012,2014,2015,2016,2017,2018,2019, 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 "parser.h"
#include "parsetree.h"
#include "scanner.h"
-#include "selectioncollection-impl.h"
+#include "selectioncollection_impl.h"
#include "selelem.h"
#include "selmethod.h"
#include "symrec.h"
#include "parser.h"
#include "poscalc.h"
#include "scanner.h"
-#include "selectioncollection-impl.h"
+#include "selectioncollection_impl.h"
#include "selelem.h"
#include "selmethod.h"
#include "symrec.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2019, 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2009,2010,2011,2012,2014,2015,2017,2018,2019, 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.
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/stringutil.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
#include "symrec.h"
/*! \internal \brief
/*
* 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/exceptions.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/*! \internal
* \brief
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "selelem.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
using std::min;
using std::max;
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/smalloc.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/*! \internal \brief
* Data structure for the merging selection modifiers.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/stringutil.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/*! \internal \brief
* Data structure for the \p permute selection modifier.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "poscalc.h"
#include "selelem.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/*! \internal \brief
* Data structure for position keyword evaluation.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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 "parsetree.h"
#include "selelem.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/*! \internal
* \brief
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/gmxassert.h"
#include "selmethod.h"
-#include "selmethod-impl.h"
+#include "selmethod_impl.h"
/** Evaluates the \p all selection keyword. */
static void
*/
#include "gmxpre.h"
-#include "report-methods.h"
+#include "report_methods.h"
#include "gromacs/commandline/cmdlineoptionsmodule.h"
#include "gromacs/fileio/confio.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.
#
# 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.
# the research papers on the package. Check out http://www.gromacs.org.
gmx_add_unit_test(ToolUnitTests tool-test
- report-methods.cpp)
+ report_methods.cpp)
/*
* 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.
*/
#include "gmxpre.h"
-#include "gromacs/tools/report-methods.h"
+#include "gromacs/tools/report_methods.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/gmxpreprocess/grompp.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/arrayref.h"
#include "gromacs/utility/gmxassert.h"
-#include "analysissettings-impl.h"
+#include "analysissettings_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2014,2015,2019, 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.
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
-#include "analysissettings-impl.h"
+#include "analysissettings_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2012,2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2012,2014,2015,2018,2019, 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.
*/
-#include "gromacs/utility/baseversion-gen.h"
+#include "gromacs/utility/baseversion_gen.h"
const char _gmx_ver_string[] = "@GMX_VERSION_STRING_FULL@";
const char _gmx_full_git_hash[] = "@GMX_VERSION_FULL_HASH@";
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2018,2019, 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 "config.h"
-#include "baseversion-gen.h"
+#include "baseversion_gen.h"
const char *gmx_version()
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2012,2013,2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2012,2013,2014,2015,2018,2019, 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.
)
gmx_add_mpi_unit_test(UtilityMpiUnitTests utility-mpi-test 4
- physicalnodecommunicator-mpi.cpp
+ physicalnodecommunicator_mpi.cpp
)
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
} // namespace gmx
// Includes tests common to all allocation policies.
-#include "gromacs/utility/tests/alignedallocator-impl.h"
+#include "gromacs/utility/tests/alignedallocator_impl.h"
namespace gmx
{
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
/*
* 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.
#include "gromacs/gmxpreprocess/genion.h"
#include "gromacs/gmxpreprocess/genrestr.h"
#include "gromacs/gmxpreprocess/grompp.h"
-#include "gromacs/gmxpreprocess/insert-molecules.h"
+#include "gromacs/gmxpreprocess/insert_molecules.h"
#include "gromacs/gmxpreprocess/pdb2gmx.h"
#include "gromacs/gmxpreprocess/solvate.h"
#include "gromacs/gmxpreprocess/x2top.h"
#include "gromacs/tools/check.h"
#include "gromacs/tools/convert_tpr.h"
#include "gromacs/tools/dump.h"
-#include "gromacs/tools/report-methods.h"
+#include "gromacs/tools/report_methods.h"
#include "mdrun/mdrun_main.h"
#include "view/view.h"
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+# Copyright (c) 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.
filematchers.cpp
interactivetest.cpp
loggertest.cpp
- mpi-printer.cpp
+ mpi_printer.cpp
mpitest.cpp
refdata.cpp
- refdata-xml.cpp
+ refdata_xml.cpp
simulationdatabase.cpp
stdiohelper.cpp
stringtest.cpp
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2019, 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.
*/
#include "gmxpre.h"
-#include "mpi-printer.h"
+#include "mpi_printer.h"
#include "config.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2019, 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/utility/real.h"
#include "gromacs/utility/stringutil.h"
-#include "testutils/refdata-checkers.h"
-#include "testutils/refdata-impl.h"
-#include "testutils/refdata-xml.h"
+#include "testutils/refdata_checkers.h"
+#include "testutils/refdata_impl.h"
+#include "testutils/refdata_xml.h"
#include "testutils/testasserts.h"
#include "testutils/testexceptions.h"
#include "testutils/testfilemanager.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 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/utility/strconvert.h"
#include "gromacs/utility/stringutil.h"
-#include "testutils/refdata-impl.h"
+#include "testutils/refdata_impl.h"
#include "testutils/testasserts.h"
#include "testutils/testexceptions.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2019, 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.
*/
#include "gmxpre.h"
-#include "refdata-xml.h"
+#include "refdata_xml.h"
#include <tinyxml2.h>
#include "gromacs/utility/exceptions.h"
-#include "testutils/refdata-impl.h"
+#include "testutils/refdata_impl.h"
#include "testutils/testexceptions.h"
namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2019, 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.
#include <string>
-#include "testutils/refdata-impl.h"
+#include "testutils/refdata_impl.h"
namespace gmx
{
#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/textwriter.h"
-#include "testutils/mpi-printer.h"
+#include "testutils/mpi_printer.h"
#include "testutils/refdata.h"
#include "testutils/testfilemanager.h"
#include "testutils/testoptions.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 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.
* - gmx::test::StdioTestHelper provides a helper class for tests that need to
* execute legacy code where `stdin` reading cannot be easily mocked.
*
- * Additionally, testinit.h and mpi-printer.h, and their corresponding source
+ * Additionally, testinit.h and mpi_printer.h, and their corresponding source
* files, provide functionality that is not visible on the API level: they
* provide initialization routines for the above functionality, which are
* automatically called by the %main() function provided in unittest_main.cpp.
*
- * mpi-printer.h provides a Google Test listener that is installed when the
+ * mpi_printer.h provides a Google Test listener that is installed when the
* tests are compiled with MPI. This listener allows the test binary to be run
* on multiple MPI ranks, and synchronizes the execution and output from the
* test cases, as well as makes the test fail on even if an assertion fails