computeglobalselement.cpp File Reference

#include "gmxpre.h"
#include "computeglobalselement.h"
#include <any>
#include <string>
#include <type_traits>
#include <utility>
#include <vector>
#include "gromacs/domdec/domdec.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdlib/md_support.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdlib/stat.h"
#include "gromacs/mdlib/update.h"
#include "gromacs/mdlib/vcm.h"
#include "gromacs/mdrun/isimulator.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/observablesreducer.h"
#include "gromacs/modularsimulator/energydata.h"
#include "gromacs/modularsimulator/modularsimulatorinterfaces.h"
#include "gromacs/modularsimulator/statepropagatordata.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/vec.h"
#include "gromacs/utility/vectypes.h"
#include "freeenergyperturbationdata.h"
#include "modularsimulator.h"
#include "simulatoralgorithm.h"

Include dependency graph for computeglobalselement.cpp:

Description

Defines the global reduction element for the modular simulator.

Author

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

Functions
SchedulingFunction	gmx::anonymous_namespace{computeglobalselement.cpp}::registerPostStepSchedulingFunction (ObservablesReducer *observablesReducer)
	Schedule a function for actions that must happen at the end of each step. More...