#include "gromacs/utility/arrayref.h"
#include "energydata.h"
#include "modularsimulatorinterfaces.h"
#include "propagator.h"

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Description

Declares a velocity-scaling temperature coupling element for the modular simulator.

This header is only used within the modular simulator module

Classes
class	gmx::VelocityScalingTemperatureCoupling
	Element implementing the a velocity-scaling thermostat. More...

Typedefs
using	gmx::TemperatureCouplingType = int
	Typedef to match current use of ints as types.

Enumerations
enum	gmx::UseFullStepKE { Yes, No, Count }
	Enum describing whether the thermostat is using full or half step kinetic energy.

enum	gmx::ReportPreviousStepConservedEnergy { Yes, No, Count }
	Enum describing whether the thermostat is reporting conserved energy from the previous step.

Classes