1 #ifndef DENSITY_KERNELS_H_
2 #define DENSITY_KERNELS_H_
36 #include <openmm/KernelImpl.h>
37 #include <openmm/Platform.h>
38 #include <openmm/System.h>
41 namespace ost{
namespace mol{
namespace mm{
48 static std::string
Name() {
49 return "CalcDensityForce";
68 virtual double execute(OpenMM::ContextImpl& context,
bool includeForces,
bool includeEnergy) = 0;
virtual void initialize(const OpenMM::System &system, const DensityForce &force)=0
virtual void copyParametersToContext(OpenMM::ContextImpl &context, const DensityForce &force)=0
static std::string Name()
virtual double execute(OpenMM::ContextImpl &context, bool includeForces, bool includeEnergy)=0
CalcDensityForceKernel(std::string name, const OpenMM::Platform &platform)