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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 realreferenceTemperature
 Coupling temperature per group.
 
ArrayRef< const realcouplingTime
 Coupling time per group.
 
ArrayRef< const realnumDegreesOfFreedom
 Number of degrees of freedom per group.
 
ArrayRef< const double > temperatureCouplingIntegral
 Work exerted by thermostat per group.
 

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