DirectForwardFlux.h

 
#pragma once 
 
#include "Method.h"
#include "ForwardFlux.h"
 
namespace SSAGES
{
 
    class DirectForwardFlux : public ForwardFlux
    {
    protected:
        //-----------------------------------------------------------------
        // Private Variables
        //-----------------------------------------------------------------
 
        //std::vector<unsigned int> _M;
 
        //-----------------------------------------------------------------
        // Private Functions
        //-----------------------------------------------------------------
        
        void CheckForInterfaceCrossings(Snapshot*, const class CVManager&) override;
 
        void InitializeQueue(Snapshot*, const CVList&) override;
 
    public:
        DirectForwardFlux(const MPI_Comm& world,
                          const MPI_Comm& comm, 
                          double ninterfaces, std::vector<double> interfaces,
                          unsigned int N0Target, std::vector<unsigned int> M,
                          bool initialFluxFlag, bool saveTrajectories, 
                          unsigned int currentInterface, std::string output_directory, unsigned int frequency)
        : ForwardFlux(world, comm, ninterfaces, interfaces, N0Target, M, 
                      initialFluxFlag, saveTrajectories, currentInterface, output_directory, frequency) {}
 
 
        void PostIntegration(Snapshot* snapshot, const class CVManager& cvmanager) override;
 
        static DirectForwardFlux* Build(const Json::Value& json, 
                                        const MPI_Comm& world,
                                        const MPI_Comm& comm,
                                        const std::string& path);
    };
}
 
/*
File Formats:
_indexfile
interface(some integer) dump_file_name(a string that contains interface and trial number)
example: 1 dump_1_10.xyz
 
dumpfile
atomid posx posy posz vx vy vz
 
 
*/