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gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTestParameters Struct Reference

Description

Test parameters space.

The test will run on a set of combinations of this steucture parameters.

Public Attributes

int temperatureCouplingScheme
 Thermostat (enum)
 
int pressureCouplingScheme
 Barostat (enum)
 
int integrator
 Integrator.
 
int numFrames
 Number of saved energy frames (to test averages output).
 
bool isRerun
 If output should be initialized as a rerun.
 
bool isBoxTriclinic
 Is box triclinic (off-diagonal elements will be printed).
 

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