runner.h File Reference

#include <cstdio>
#include <array>
#include <memory>
#include <string>
#include "gromacs/commandline/filenm.h"
#include "gromacs/compat/pointers.h"
#include "gromacs/domdec/options.h"
#include "gromacs/hardware/hw_info.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdrun/mdmodules.h"
#include "gromacs/mdrun/simulationinputhandle.h"
#include "gromacs/mdrunutility/handlerestart.h"
#include "gromacs/mdrunutility/logging.h"
#include "gromacs/mdtypes/mdrunoptions.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/unique_cptr.h"
#include "replicaexchange.h"

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Description

Declares the routine running the inetgrators.

Author

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

Classes
class	gmx::Mdrunner
	Runner object for supporting setup and execution of mdrun. More...
class	gmx::MdrunnerBuilder
	Build a gmx::Mdrunner. More...