Line data    Source code

       1              : #pragma once
       2              : 
       3              : #include "simplemd/cell-mappings/LennardJonesForceMapping.h"
       4              : 
       5              : #include <Kokkos_Core.hpp>
       6              : 
       7              : namespace simplemd {
       8              : namespace moleculewithcellmappings {
       9              : class LennardJonesForceMapping;
      10              : }
      11              : } // namespace simplemd
      12              : 
      13         1056 : class simplemd::moleculewithcellmappings::LennardJonesForceMapping : public simplemd::cellmappings::LennardJonesForceMapping {
      14              : public:
      15              :   LennardJonesForceMapping(simplemd::services::ExternalForceService& externalForceService,
      16              :                            const simplemd::services::MolecularPropertiesService& molecularPropertiesService);
      17         1068 :   KOKKOS_FUNCTION virtual ~LennardJonesForceMapping() {}
      18              : 
      19              :   void beginMoleculeIteration();
      20              :   void endMoleculeIteration() {}
      21              : 
      22              :   KOKKOS_FUNCTION void handleMolecule(Molecule& molecule, const LinkedCell& cell) const;
      23              : 
      24              :   static const bool IsParallel = true;
      25              : };