Description

Information needed to connect a propagator to a temperature and / or pressure coupling element.

Public Member Functions
bool	hasStartVelocityScaling () const
	Whether the propagator offers start velocity scaling.

bool	hasEndVelocityScaling () const
	Whether the propagator offers end velocity scaling.

bool	hasPositionScaling () const
	Whether the propagator offers position scaling.

bool	hasParrinelloRahmanScaling () const
	Whether the propagator offers Parrinello-Rahman scaling.

Public Attributes
PropagatorTag	tag
	The tag of the creating propagator.

std::function< void(int, ScaleVelocities)>	setNumVelocityScalingVariables
	Function object for setting velocity scaling variables.

std::function< void(int)>	setNumPositionScalingVariables
	Function object for setting velocity scaling variables.

std::function< ArrayRef< real >)>	getViewOnStartVelocityScaling
	Function object for receiving view on velocity scaling (before step)

std::function< ArrayRef< real >)>	getViewOnEndVelocityScaling
	Function object for receiving view on velocity scaling (after step)

std::function< ArrayRef< real >)>	getViewOnPositionScaling
	Function object for receiving view on position scaling.

std::function < PropagatorCallback()>	getVelocityScalingCallback
	Function object to request callback allowing to signal a velocity scaling step.

std::function < PropagatorCallback()>	getPositionScalingCallback
	Function object to request callback allowing to signal a position scaling step.

std::function< Matrix3x3 *()>	getViewOnPRScalingMatrix
	Function object for receiving view on pressure scaling matrix.

std::function < PropagatorCallback()>	getPRScalingCallback
	Function object to request callback allowing to signal a Parrinello-Rahman scaling step.

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

Public Member Functions