Gromacs  2025-dev-20240710-afbd73d
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
gmx::OutputRequirements Struct Reference

#include <gromacs/coordinateio/requirements.h>


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: