Gromacs
2024.4
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#include "gmxpre.h"
#include "dump.h"
#include "config.h"
#include <cassert>
#include <cmath>
#include <cstdio>
#include <cstring>
#include "gromacs/commandline/cmdlineoptionsmodule.h"
#include "gromacs/fileio/checkpoint.h"
#include "gromacs/fileio/enxio.h"
#include "gromacs/fileio/filetypes.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/mtxio.h"
#include "gromacs/fileio/tngio.h"
#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trrio.h"
#include "gromacs/fileio/xtcio.h"
#include "gromacs/gmxpreprocess/gmxcpp.h"
#include "gromacs/math/vecdump.h"
#include "gromacs/mdrun/mdmodules.h"
#include "gromacs/mdtypes/forcerec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/trajectory/energyframe.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/arraysize.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/txtdump.h"
Implements gmx dump utility.
Functions | |
void | gmx::anonymous_namespace{dump.cpp}::list_tpr (const char *fn, gmx_bool bShowNumbers, gmx_bool bShowParameters, const char *mdpfn, gmx_bool bSysTop, gmx_bool bOriginalInputrec) |
Dump a TPR file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_top (const char *fn) |
Dump a topology file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_trr (const char *fn) |
Dump a TRR file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_xtc (const char *fn) |
Dump an xtc file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_tng (const char *fn) |
Dump a TNG file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_trx (const char *fn) |
Dump a trajectory file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_ene (const char *fn) |
Dump an energy file. | |
void | gmx::anonymous_namespace{dump.cpp}::list_mtx (const char *fn) |
Dump a (Hessian) matrix file. | |