Tensor3RDM.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 TENSOR3RDM_CHEMPS2_H
#define TENSOR3RDM_CHEMPS2_H

#include "TensorT.h"
#include "TensorL.h"
#include "TensorOperator.h"
#include "SyBookkeeper.h"

namespace CheMPS2{
   class Tensor3RDM : public TensorOperator{

      public:
      

         Tensor3RDM(const int boundary, const int two_j1_in, const int two_j2, const int nelec, const int irrep, const bool prime_last, const SyBookkeeper * book);
         
         virtual ~Tensor3RDM();
         

         int get_two_j1() const;
         

         int get_two_j2() const;
         

         void a1(TensorOperator * Sigma, TensorT * denT, double * workmem);
         

         void b1(TensorOperator * Sigma, TensorT * denT, double * workmem);
         

         void c1(TensorOperator * denF, TensorT * denT, double * workmem);
         

         void d1(TensorOperator * denF, TensorT * denT, double * workmem);
         

         void extra1(TensorT * denT);
         

         void extra2(TensorL * denL, TensorT * denT, double * workmem);
         

         void extra3(TensorL * denL, TensorT * denT, double * workmem);
         

         void extra4(TensorL * denL, TensorT * denT, double * workmem);
         

         double contract( Tensor3RDM * buddy ) const;
         

         bool get_prime_last() const;
         
      private:
      
         int two_j1;
         
   };
}

#endif