TensorX.h

/*
   CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
   Copyright (C) 2013-2016 Sebastian Wouters

   This program is free software; you can redistribute it and/or modify
   it under the terms of the GNU General Public License as published by
   the Free Software Foundation; either version 2 of the License, or
   (at your option) any later version.

   This program is distributed in the hope that it will be useful,
   but WITHOUT ANY WARRANTY; without even the implied warranty of
   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
   GNU General Public License for more details.

   You should have received a copy of the GNU General Public License along
   with this program; if not, write to the Free Software Foundation, Inc.,
   51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/

#ifndef TENSORX_CHEMPS2_H
#define TENSORX_CHEMPS2_H

#include "Tensor.h"
#include "TensorL.h"
#include "TensorQ.h"
#include "TensorOperator.h"
#include "TensorF0.h"
#include "TensorF1.h"
#include "Problem.h"
#include "SyBookkeeper.h"

namespace CheMPS2{
   class TensorX : public TensorOperator{

      public:
      

         TensorX(const int boundary_index, const bool moving_right, const SyBookkeeper * denBK, const Problem * Prob);
         
         virtual ~TensorX();
         

         void update(TensorT * denT, TensorL ** Ltensors, TensorX * Xtensor, TensorQ * Qtensor, TensorOperator * Atensor, TensorOperator * Ctensor, TensorOperator * Dtensor);
         

         void update(TensorT * denT);
         
      private:

         //Problem containing the matrix elements
         const Problem * Prob;
      
         //helper functions
         void makenewRight(const int ikappa, TensorT * denT);
         void makenewLeft(const int ikappa, TensorT * denT);
         void addTermQLRight(const int ikappa, TensorT * denT, TensorL ** Lprev, TensorQ * Qprev, double * workmemRR, double * workmemLR, double * workmemLL);
         void addTermQLLeft(const int ikappa, TensorT * denT, TensorL ** Lprev, TensorQ * Qprev, double * workmemLL, double * workmemLR, double * workmemRR);
         void addTermALeft(const int ikappa, TensorT * denT, TensorOperator * Aprev, double * workmemLR, double * workmemLL);
         void addTermARight(const int ikappa, TensorT * denT, TensorOperator * Aprev, double * workmemRR, double * workmemLR);
         void addTermCRight(const int ikappa, TensorT * denT, TensorOperator * denC, double * workmemLR);
         void addTermCLeft(const int ikappa, TensorT * denT, TensorOperator * denC, double * workmemLR);
         void addTermDRight(const int ikappa, TensorT * denT, TensorOperator * denD, double * workmemLR);
         void addTermDLeft(const int ikappa, TensorT * denT, TensorOperator * denD, double * workmemLR);
         
   };
}

#endif