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
TemperatureCoupling	temperatureCouplingScheme
	Thermostat (enum)
PressureCoupling	pressureCouplingScheme
	Barostat (enum)
IntegrationAlgorithm	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).

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

• src/gromacs/mdlib/tests/energyoutput.cpp