mdrun.cpp File Reference

#include "gmxpre.h"
#include "config.h"
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "gromacs/commandline/filenm.h"
#include "gromacs/commandline/pargs.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/mdlib/main.h"
#include "gromacs/mdlib/mdrun.h"
#include "gromacs/mdrunutility/handlerestart.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/arraysize.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
#include "mdrun_main.h"
#include "repl_ex.h"
#include "runner.h"

Include dependency graph for mdrun.cpp:

Description

This file implements mdrun.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

David van der Spoel david.nosp@m..van.nosp@m.dersp.nosp@m.oel@.nosp@m.icm.u.nosp@m.u.se

Erik Lindahl erik@.nosp@m.kth..nosp@m.se

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions
static bool	is_multisim_option_set (int argc, const char *const argv[])
	Return whether either of the command-line parameters that will trigger a multi-simulation is set.
int	gmx_mdrun (int argc, char *argv[])
	Implements C-style main function for mdrun.