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.

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

• src/gromacs/coordinateio/requirements.h