CalcDensityForceKernel Class Reference

Public Member Functions
	CalcDensityForceKernel (std::string name, const OpenMM::Platform &platform)
virtual void	initialize (const OpenMM::System &system, const DensityForce &force)=0
virtual double	execute (OpenMM::ContextImpl &context, bool includeForces, bool includeEnergy)=0
virtual void	copyParametersToContext (OpenMM::ContextImpl &context, const DensityForce &force)=0
Static Public Member Functions
static std::string	Name ()

Detailed Description

This kernel is invoked by DensityForce to calculate the forces acting on the system and the energy of the system.

Definition at line 46 of file density_kernels.hh.

Definition at line 51 of file density_kernels.hh.

virtual void copyParametersToContext	(	OpenMM::ContextImpl &	context,
		const DensityForce &	force
	)			`[pure virtual]`

Copy changed parameters over to a context.

Parameters:

	context	the context to copy parameters to
	force	the DensityForce to copy the parameters from

Execute the kernel to calculate the forces and/or energy.

Parameters:

	context	the context in which to execute this kernel
	includeForces	true if forces should be calculated
	includeEnergy	true if the energy should be calculated

Initialize the kernel.

Parameters:

	system	the System this kernel will be applied to
	force	the DensityForce this kernel will be used for

static std::string Name ( ) [inline, static]

Definition at line 48 of file density_kernels.hh.

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