doxygen/hpc__kinetic_8h_source.html

// -*-c++-*-

#ifndef STORMM_HPC_KINETIC_H

#define STORMM_HPC_KINETIC_H


#include "copyright.h"

#include "Accelerator/gpu_details.h"

#include "Potential/scorecard.h"

#include "Trajectory/thermostat.h"

#include "Synthesis/atomgraph_synthesis.h"


namespace stormm {

namespace mm {


using card::GpuDetails;

using energy::ScoreCardWriter;

using synthesis::AtomGraphSynthesis;


void launchTemperatureComputation(const AtomGraphSynthesis &poly_ag, ScoreCardWriter *scw,

                                  const bool use_constraints, const GpuDetails &gpu);


} // namespace mm

} // namespace stormm


#endif

stormm::card::GpuDetails
Pertinent aspects of one particular GPU. Condensing the data for each GPU in this manner helps to ens...
Definition gpu_details.h:27

stormm::synthesis::AtomGraphSynthesis
A collection of one or more AtomGraph objects, with similar components arranged in contiguous arrays ...
Definition atomgraph_synthesis.h:55

stormm::energy::ScoreCardWriter
Writeable abstract for the ScoreCard object, useful for accumulating energies in many kernels.
Definition scorecard.h:64