Gromacs  2018.8
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List of all members | Public Member Functions | Public Attributes
ObservablesHistory Struct Reference

#include <gromacs/mdtypes/observableshistory.h>


Observables history, for writing/reading to/from checkpoint file.

Public Member Functions

 ObservablesHistory ()
 Default constructor.
 ~ObservablesHistory ()
 Default destructor.

Public Attributes

std::unique_ptr< energyhistory_t > energyHistory
 History for energy observables, used for output only.
std::unique_ptr< edsamhistory_t > edsamHistory
 Essential dynamics and flooding history.
std::unique_ptr< swaphistory_t > swapHistory
 Ion/water position swapping history.

The documentation for this struct was generated from the following files: