gmx::TemperatureCouplingData Struct Reference

Collaboration diagram for gmx::TemperatureCouplingData:

Description

Data used by the concrete temperature coupling implementations.

Public Attributes
const double	couplingTimeStep
	The coupling time step - simulation time step x nstcouple_.
ArrayRef< const real >	referenceTemperature
	Coupling temperature per group.
ArrayRef< const real >	couplingTime
	Coupling time per group.
ArrayRef< const real >	numDegreesOfFreedom
	Number of degrees of freedom per group.
ArrayRef< const double >	temperatureCouplingIntegral
	Work exerted by thermostat per group.

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

• src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp