Gromacs
2024.4
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#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/ewald/pme_pp.h"
#include "gromacs/fileio/checkpoint.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/listed_forces/listed_forces.h"
#include "gromacs/mdlib/checkpointhandler.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdlib/coupling.h"
#include "gromacs/mdlib/energyoutput.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdlib/resethandler.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/forcerec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/mdrunoptions.h"
#include "gromacs/mdtypes/observableshistory.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/int64_to_int.h"
#include "andersentemperaturecoupling.h"
#include "computeglobalselement.h"
#include "constraintelement.h"
#include "expandedensembleelement.h"
#include "firstorderpressurecoupling.h"
#include "forceelement.h"
#include "mttk.h"
#include "nosehooverchains.h"
#include "parrinellorahmanbarostat.h"
#include "pullelement.h"
#include "simulatoralgorithm.h"
#include "statepropagatordata.h"
#include "velocityscalingtemperaturecoupling.h"
Defines the modular simulator.