mttk.cpp File Reference

#include "gmxpre.h"
#include "mttk.h"
#include "gromacs/domdec/domdec_network.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/coupling.h"
#include "gromacs/mdlib/stat.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/topology/ifunc.h"
#include "energydata.h"
#include "nosehooverchains.h"
#include "simulatoralgorithm.h"
#include "trotterhelperfunctions.h"
#include "velocityscalingtemperaturecoupling.h"

Include dependency graph for mttk.cpp:

Description

Defines classes related to MTTK pressure coupling.

Author

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

Enumerations
enum	gmx::anonymous_namespace{mttk.cpp}::CheckpointVersion { gmx::anonymous_namespace{mttk.cpp}::CheckpointVersion::Base, gmx::anonymous_namespace{mttk.cpp}::CheckpointVersion::Count }
	Enum describing the contents MttkData writes to modular checkpoint. More...

Functions
	gmx::numDegreesOfFreedom_ (numDegreesOfFreedom)
	gmx::simulationTimeStep_ (simulationTimeStep)
	gmx::ensembleTemperature_ (ensembleTemperature)
	gmx::statePropagatorData_ (statePropagatorData)
	gmx::mttkPropagatorConnection_ (mttkPropagatorConnection)

Variables
constexpr auto	gmx::anonymous_namespace{mttk.cpp}::c_currentVersion = CheckpointVersion(int(CheckpointVersion::Count) - 1)