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gmx::SimulatorStateData Struct Reference

#include <gromacs/mdrun/simulatorbuilder.h>

+ Collaboration diagram for gmx::SimulatorStateData:

Description

Data for a specific simulation state.

Todo:
Think of a better name and annoy people that forget to add documentation for their code.

Public Member Functions

 SimulatorStateData (t_state *globalState, ObservablesHistory *observablesHistory, gmx_enerdata_t *enerdata, gmx_ekindata_t *ekindata)
 Build collection of current state data.
 
 SimulatorStateData (const SimulatorStateData &simulatorStateData)=default
 Can perform copy of current state.
 

Public Attributes

t_stateglobalState_p
 Handle to global state of the simulation.
 
ObservablesHistoryobservablesHistory_p
 Handle to current simulation history.
 
gmx_enerdata_tenerdata_p
 Handle to collected data for energy groups.
 
gmx_ekindata_t * ekindata_p
 Handle to collected data for kinectic energy.
 

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