TensorT.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 TENSORT_CHEMPS2_H
#define TENSORT_CHEMPS2_H

#include "Tensor.h"
#include "SyBookkeeper.h"

namespace CheMPS2{
   class TensorT : public Tensor{

      public:


         TensorT( const int site_index, const SyBookkeeper * denBK );

         virtual ~TensorT();


         int gNKappa() const;


         double * gStorage();


         int gKappa( const int N1, const int TwoS1, const int I1, const int N2, const int TwoS2, const int I2 ) const;


         int gKappa2index( const int kappa ) const;


         double * gStorage( const int N1, const int TwoS1, const int I1, const int N2, const int TwoS2, const int I2 );


         int gIndex() const;


         const SyBookkeeper * gBK() const;


         void sBK( const SyBookkeeper * newBK );

         void random();


         void number_operator( const double alpha, const double beta );


         void QR( Tensor * Rstorage );


         void LQ( Tensor * Lstorage );


         void LeftMultiply( Tensor * Mx );


         void RightMultiply( Tensor * Mx );

         void Reset();


         bool CheckLeftNormal() const;


         bool CheckRightNormal() const;

      private:

         const SyBookkeeper * denBK;

         int * sectorNL;

         int * sectorNR;

         int * sectorTwoSL;

         int * sectorTwoSR;

         int * sectorIL;

         int * sectorIR;

         void DeleteAllArrays();

         void AllocateAllArrays();

   };
}

#endif