#include <density_kernels.hh>
Inherited by ReferenceCalcDensityForceKernel.
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 () |
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.
CalcDensityForceKernel | ( | std::string | name, | |
const OpenMM::Platform & | platform | |||
) | [inline] |
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.
context | the context to copy parameters to | |
force | the DensityForce to copy the parameters from |
Implemented in ReferenceCalcDensityForceKernel.
virtual double execute | ( | OpenMM::ContextImpl & | context, | |
bool | includeForces, | |||
bool | includeEnergy | |||
) | [pure virtual] |
Execute the kernel to calculate the forces and/or energy.
context | the context in which to execute this kernel | |
includeForces | true if forces should be calculated | |
includeEnergy | true if the energy should be calculated |
Implemented in ReferenceCalcDensityForceKernel.
virtual void initialize | ( | const OpenMM::System & | system, | |
const DensityForce & | force | |||
) | [pure virtual] |
Initialize the kernel.
system | the System this kernel will be applied to | |
force | the DensityForce this kernel will be used for |
Implemented in ReferenceCalcDensityForceKernel.
static std::string Name | ( | ) | [inline, static] |
Definition at line 48 of file density_kernels.hh.