Model_LVCM.h

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#ifndef Model_LVCM_H
#define Model_LVCM_H
 
#include "kids/Kernel.h"
#include "kids/Policy.h"
 
namespace PROJECT_NS {
 
DEFINE_POLICY(LVCMPolicy,  //
              PYR3,        //
              PYR3_SPEC,   //
              PYR4,        //
              PYR4_SPEC,   //
              PYR24,       //
              CRC2,        //
              CRC5,        //
              BEN5,        //
              BUTA5,       //
              PENTA5,      //
              CED2,        //
              CED3,        //
              PYR2CED,     //
              Read);       //
 
class Model_LVCM final : public Kernel {
   public:
    virtual const std::string getName();
 
    virtual int getType() const;
 
    Model_LVCM(){};
 
   private:
    LVCMPolicy::_type lvcm_type;
    int               N_coup;
    int               N_mode;
    bool              classical_bath;
 
 
    kids_real* Hsys;
    kids_real *kcoeff, *lcoeff;
 
    kids_real* x_sigma;
    kids_real* p_sigma;
    kids_real* x0;
    kids_real* p0;
 
    // integrator
    kids_real *x, *p, *m, *w;
 
    // model
    kids_real* mass;
    kids_real *vpes, *grad, *hess;
    kids_real *V, *dV, *ddV;
 
    // int N_ligh;
    // N = N_mode + N_coup + N_ligh
 
    void setInputParam_impl(std::shared_ptr<Param>& PM);
 
    void setInputDataSet_impl(std::shared_ptr<DataSet>& DS);
 
    Status& initializeKernel_impl(Status& stat);
 
    Status& executeKernel_impl(Status& stat);
};
 
};  // namespace PROJECT_NS
 
#endif  // Model_LVCM_H