Gromacs  2020.4
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observableshistory.h File Reference
#include <memory>
+ Include dependency graph for observableshistory.h:

Description

This file contains the definition of a container for history data for simulation observables.

The container is used for storing the simulation state data that needs to be written to / read from checkpoint file. This struct should only contain pure observable data. Microstate data should be in t_state. The state of the mdrun machinery is also stored elsewhere.

Author
Berk Hess

Classes

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