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Gromacs
2025.3
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#include "gmxpre.h"#include "dump.h"#include "config.h"#include <cassert>#include <cinttypes>#include <cmath>#include <cstdio>#include <cstring>#include <filesystem>#include <memory>#include <string>#include <vector>#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/xdr_datatype.h"#include "gromacs/fileio/xtcio.h"#include "gromacs/gmxpreprocess/gmxcpp.h"#include "gromacs/linearalgebra/sparsematrix.h"#include "gromacs/math/vecdump.h"#include "gromacs/math/vectypes.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/options/optionfiletype.h"#include "gromacs/topology/mtop_util.h"#include "gromacs/topology/topology.h"#include "gromacs/topology/topology_enums.h"#include "gromacs/trajectory/energyframe.h"#include "gromacs/trajectory/trajectoryframe.h"#include "gromacs/utility/arrayref.h"#include "gromacs/utility/arraysize.h"#include "gromacs/utility/basedefinitions.h"#include "gromacs/utility/cstringutil.h"#include "gromacs/utility/enumerationhelpers.h"#include "gromacs/utility/fatalerror.h"#include "gromacs/utility/futil.h"#include "gromacs/utility/real.h"#include "gromacs/utility/smalloc.h"#include "gromacs/utility/txtdump.h"
Include dependency graph for dump.cpp: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. | |
1.8.5