Gromacs
2024.4
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#include <cstdio>
#include <array>
#include <memory>
#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/mdtypes/mdrunoptions.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/real.h"
#include "replicaexchange.h"
Declares the routine running the inetgrators.
Classes | |
class | gmx::Mdrunner |
Runner object for supporting setup and execution of mdrun. More... | |
class | gmx::MdrunnerBuilder |
Build a gmx::Mdrunner. More... | |