hpc_virtual_site_handling.h

// -*-c++-*-
#ifndef STORMM_HPC_VIRTUAL_SITE_HANDLING_H
#define STORMM_HPC_VIRTUAL_SITE_HANDLING_H
 
#include "copyright.h"
#include "Accelerator/core_kernel_manager.h"
#include "Constants/behavior.h"
#include "Potential/cacheresource.h"
#include "Potential/energy_enumerators.h"
#include "Synthesis/atomgraph_synthesis.h"
#include "Synthesis/phasespace_synthesis.h"
#include "Synthesis/synthesis_abstracts.h"
#include "structure_enumerators.h"
 
namespace stormm {
namespace structure {
 
using card::CoreKlManager;
using constants::PrecisionModel;
using energy::CacheResource;
using energy::CacheResourceKit;
using energy::ValenceKernelSize;
using synthesis::AtomGraphSynthesis;
using synthesis::PhaseSpaceSynthesis;
using synthesis::PsSynthesisWriter;
using synthesis::SyAtomUpdateKit;
using synthesis::SyValenceKit;

cudaFuncAttributes queryVirtualSiteKernelRequirements(PrecisionModel prec,
                                                      VirtualSiteActivity purpose,
                                                      ValenceKernelSize kwidth);

void launchVirtualSitePlacement(PsSynthesisWriter *poly_psw, CacheResourceKit<double> *gmem_r,
                                const SyValenceKit<double> &poly_vk,
                                const SyAtomUpdateKit<double, double2, double4> &poly_auk,
                                const int2 bt);
 
void launchVirtualSitePlacement(PsSynthesisWriter *poly_psw, CacheResourceKit<float> *gmem_r,
                                const SyValenceKit<float> &poly_vk,
                                const SyAtomUpdateKit<float, float2, float4> &poly_auk,
                                const int2 bt);

void launchTransmitVSiteForces(PsSynthesisWriter *poly_psw, CacheResourceKit<double> *gmem_r,
                               const SyValenceKit<double> &poly_vk,
                               const SyAtomUpdateKit<double, double2, double4> &poly_auk,
                               const int2 bt);
 
void launchTransmitVSiteForces(PsSynthesisWriter *poly_psw, CacheResourceKit<float> *gmem_r,
                               const SyValenceKit<float> &poly_vk,
                               const SyAtomUpdateKit<float, float2, float4> &poly_auk,
                               const int2 bt);
  
void launchVirtualSiteHandling(PrecisionModel prec, VirtualSiteActivity purpose,
                               PhaseSpaceSynthesis *poly_ps, CacheResource *tb_space,
                               const AtomGraphSynthesis &poly_ag, const CoreKlManager &launcher);
 
} // namespace structure
} // namespace stormm
 
#endif