Gromacs  2022.2
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Enumerations | Variables
energydata.cpp File Reference
#include "gmxpre.h"
#include "energydata.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/compute_io.h"
#include "gromacs/mdlib/enerdata_utils.h"
#include "gromacs/mdlib/energyoutput.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdlib/mdoutf.h"
#include "gromacs/mdlib/stat.h"
#include "gromacs/mdlib/tgroup.h"
#include "gromacs/mdlib/update.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/energyhistory.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/observableshistory.h"
#include "gromacs/mdtypes/pullhistory.h"
#include "gromacs/topology/topology.h"
#include "freeenergyperturbationdata.h"
#include "modularsimulator.h"
#include "simulatoralgorithm.h"
#include "statepropagatordata.h"
+ Include dependency graph for energydata.cpp:

Description

Defines the microstate for the modular simulator.

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

Enumerations

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

Variables

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