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gmx::OutputRequirements Struct Reference

#include <gromacs/coordinateio/requirements.h>

Description

Finalized version of requirements after processing.

Public Attributes

ChangeSettingType velocity = ChangeSettingType::PreservedIfPresent
 Should velocities be written.
 
ChangeSettingType force = ChangeSettingType::PreservedIfPresent
 Should forces be written.
 
ChangeFrameInfoType precision = ChangeFrameInfoType::PreservedIfPresent
 Should precision be changed.
 
int prec = 3
 Precision used in output file.
 
ChangeFrameTimeType frameTime = ChangeFrameTimeType::PreservedIfPresent
 Should frame start time be changed.
 
real startTimeValue = 0
 Time for first frame to start.
 
real timeStepValue = 0
 Time step to use between frames.
 
matrix newBox = { { 0 } }
 Box vector converted to matrix format.
 
ChangeFrameInfoType box = ChangeFrameInfoType::PreservedIfPresent
 Should frame box be changed.
 
ChangeAtomsType atoms = ChangeAtomsType::PreservedIfPresent
 Should frame atom setting be changed.
 

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