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pullelement.cpp File Reference
#include "gmxpre.h"
#include "pullelement.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pulling/output.h"
#include "gromacs/pulling/pull.h"
#include "simulatoralgorithm.h"
#include "statepropagatordata.h"
+ Include dependency graph for pullelement.cpp:

Description

Defines the pull element for the modular simulator.

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

Enumerations

enum  gmx::anonymous_namespace{pullelement.cpp}::CheckpointVersion { gmx::anonymous_namespace{pullelement.cpp}::CheckpointVersion::Base, gmx::anonymous_namespace{pullelement.cpp}::CheckpointVersion::Count }
 Enum describing the contents FreeEnergyPerturbationData::Element writes to modular checkpoint. More...
 

Functions

template<CheckpointDataOperation operation>
static void gmx::doCheckpointData (CheckpointData< operation > *checkpointData, ArrayRef< double > previousStepCom)
 

Variables

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