CheMPS2
TensorKM.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 TENSORKM_CHEMPS2_H
21 #define TENSORKM_CHEMPS2_H
22 
23 #include "Tensor.h"
24 #include "TensorT.h"
25 #include "TensorOperator.h"
26 #include "SyBookkeeper.h"
27 
28 namespace CheMPS2{
34  class TensorKM : public TensorOperator{
35 
36  public:
37 
39 
43  TensorKM(const int boundary_index, const char identity, const int Idiff, const SyBookkeeper * denBK);
44 
46  virtual ~TensorKM();
47 
48  //Construct new TensorKM (vs update)
50  void construct(TensorT * denT);
51 
52  private:
53 
55  char identity;
56 
57  };
58 }
59 
60 #endif
Definition: CASPT2.h:42
virtual ~TensorKM()
Destructor.
Definition: TensorKM.cpp:40
TensorKM(const int boundary_index, const char identity, const int Idiff, const SyBookkeeper *denBK)
Constructor.
Definition: TensorKM.cpp:25
void construct(TensorT *denT)
Definition: TensorKM.cpp:42