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Enumerations | Variables
gmx::anonymous_namespace{freeenergyperturbationdata.cpp} Namespace Reference

Enumerations

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

Variables

constexpr auto c_currentVersion = CheckpointVersion(int(CheckpointVersion::Count) - 1)
 

Enumeration Type Documentation

enum gmx::anonymous_namespace{freeenergyperturbationdata.cpp}::CheckpointVersion
strong

Enum describing the contents FreeEnergyPerturbationData::Element writes to modular checkpoint.

When changing the checkpoint content, add a new element just above Count, and adjust the checkpoint functionality.

Enumerator
Base 

First version of modular checkpointing.

AddedExternalLambdaSetting 

Additional values to ensure no state setting info is lost.

Count 

Number of entries. Add new versions right above this!