CheMPS2
TensorO.h
1 /*
2  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
3  Copyright (C) 2013-2016 Sebastian Wouters
4 
5  This program is free software; you can redistribute it and/or modify
6  it under the terms of the GNU General Public License as published by
7  the Free Software Foundation; either version 2 of the License, or
8  (at your option) any later version.
9 
10  This program is distributed in the hope that it will be useful,
11  but WITHOUT ANY WARRANTY; without even the implied warranty of
12  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13  GNU General Public License for more details.
14 
15  You should have received a copy of the GNU General Public License along
16  with this program; if not, write to the Free Software Foundation, Inc.,
17  51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
18 */
19 
20 #ifndef TENSORO_CHEMPS2_H
21 #define TENSORO_CHEMPS2_H
22 
23 #include "TensorOperator.h"
24 #include "TensorT.h"
25 #include "Problem.h"
26 
27 namespace CheMPS2{
33  class TensorO : public TensorOperator{
34 
35  public:
36 
38 
42  TensorO( const int boundary_index, const bool moving_right, const SyBookkeeper * book_up, const SyBookkeeper * book_down );
43 
45  virtual ~TensorO();
46 
48 
50  void create( TensorT * mps_tensor_up, TensorT * mps_tensor_down );
51 
53 
56  void update_ownmem( TensorT * mps_tensor_up, TensorT * mps_tensor_down, TensorO * previous );
57 
58  private:
59 
60  //helper functions
61  void create_right( const int ikappa, TensorT * mps_tensor_up, TensorT * mps_tensor_down );
62  void create_left( const int ikappa, TensorT * mps_tensor_up, TensorT * mps_tensor_down );
63 
64  };
65 }
66 
67 #endif
Definition: CASPT2.h:42
void create(TensorT *mps_tensor_up, TensorT *mps_tensor_down)
Clear and add the relevant terms to the TensorO.
Definition: TensorO.cpp:80
void update_ownmem(TensorT *mps_tensor_up, TensorT *mps_tensor_down, TensorO *previous)
Update the previous TensorO.
Definition: TensorO.cpp:40
bool moving_right
Whether or not moving right.
TensorO(const int boundary_index, const bool moving_right, const SyBookkeeper *book_up, const SyBookkeeper *book_down)
Constructor.
Definition: TensorO.cpp:27
virtual ~TensorO()
Destructor.
Definition: TensorO.cpp:38