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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)