Description

Helper object to scale velocities according to reference temperature change.

Public Member Functions
	ReferenceTemperatureHelper (const t_inputrec inputrec, StatePropagatorData statePropagatorData, const t_mdatoms *mdatoms)
	Constructor.

void	updateReferenceTemperature (ArrayRef< const real > temperatures, ReferenceTemperatureChangeAlgorithm gmx_unused algorithm)
	Update the reference temperature. More...

Member Function Documentation

void gmx::StatePropagatorData::ReferenceTemperatureHelper::updateReferenceTemperature	(	ArrayRef< const real >	temperatures,
		ReferenceTemperatureChangeAlgorithm gmx_unused	algorithm
	)

inline

Update the reference temperature.

Changing the reference temperature requires scaling the velocities, which is done here.

Parameters

temperatures	New reference temperatures
algorithm	The algorithm which initiated the temperature update

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