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modularsimulator.cpp File Reference
#include "gmxpre.h"
#include "modularsimulator.h"
#include "gromacs/commandline/filenm.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/ewald/pme_load_balancing.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/checkpointhandler.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdlib/energyoutput.h"
#include "gromacs/mdlib/forcerec.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdlib/resethandler.h"
#include "gromacs/mdlib/stat.h"
#include "gromacs/mdlib/update.h"
#include "gromacs/mdrun/replicaexchange.h"
#include "gromacs/mdrun/shellfc.h"
#include "gromacs/mdrunutility/handlerestart.h"
#include "gromacs/mdrunutility/printtime.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/fcdata.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdrunoptions.h"
#include "gromacs/mdtypes/observableshistory.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/timing/walltime_accounting.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
#include "compositesimulatorelement.h"
#include "computeglobalselement.h"
#include "constraintelement.h"
#include "energyelement.h"
#include "forceelement.h"
#include "freeenergyperturbationelement.h"
#include "parrinellorahmanbarostat.h"
#include "propagator.h"
#include "shellfcelement.h"
#include "signallers.h"
#include "statepropagatordata.h"
#include "trajectoryelement.h"
#include "vrescalethermostat.h"
+ Include dependency graph for modularsimulator.cpp:

Description

Defines the modular simulator.

Author
Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com