hpc_phasespace_synthesis.h

// -*-c++-*-
#ifndef STORMM_HPC_PHASE_SPACE_SYNTHESIS_H
#define STORMM_HPC_PHASE_SPACE_SYNTHESIS_H
 
#include "copyright.h"
#include "Accelerator/gpu_details.h"
#include "Trajectory/trajectory_enumerators.h"
#include "phasespace_synthesis.h"
 
namespace stormm {
namespace synthesis {
 
using card::GpuDetails;
using trajectory::TrajectoryKind;

void systemTransfer(PsSynthesisWriter *destination, PsSynthesisWriter *source,
                    TrajectoryKind kind, int low_index, int high_index, const GpuDetails &gpu);

void psyInitializeForces(PsSynthesisWriter *psyw, int index = -1,
                         const GpuDetails &gpu = null_gpu);
 
void psyInitializeForces(PsSynthesisWriter *psyw, const GpuDetails &gpu);
  
void psyPrimeConjugateGradient(PsSynthesisWriter *psyw, const GpuDetails &gpu);

void psyImportSystemData(llint* x_recv, int* x_recv_ovrf, llint* y_recv, int* y_recv_ovrf,
                         llint* z_recv, int* z_recv_ovrf, double* box_xform, double* inverse_xform,
                         double* box_dimensions, llint* box_vectors, int* box_vector_ovrf,
                         const int* atom_starts, const int* atom_counts, const double* x_import,
                         const double* y_import, const double* z_import,
                         const double* box_xform_in, const double* inverse_xform_in,
                         const double* box_dimensions_in, const int system_index,
                         const TrajectoryKind kind, const double conversion_factor,
                         const GpuDetails &gpu);
 
} // namespace synthesis
} // namespace stormm
 
#endif