MPQC  3.0.0-alpha
ptnum.h
1 //
2 // ptnum.h --- base class for the numerators in various (T) correction i.e., with or without R12
3 //
4 // Copyright (C) 2009 Toru Shiozaki
5 //
6 // Author: Toru Shiozaki <shiozaki.toru@gmail.com>
7 // Maintainer: TS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #pragma once
29 #ifndef _chemistry_qc_ccr12_ptnum_h
30 #define _chemistry_qc_ccr12_ptnum_h
31 
32 #include <util/ref/ref.h>
33 #include <chemistry/qc/ccr12/ccr12_info.h>
34 
35 namespace sc {
36 
38 class PTNum : public RefCount {
39 
40  protected:
41  CCR12_Info* z;
42 
44  std::vector<Tensor*> in;
46  std::vector<Tensor*> i1xn;
47 
48  public:
49  PTNum(CCR12_Info* info) : z(info) {};
50 
51  ~PTNum() {};
52 
53  virtual void compute_amp(double**,const long,const long,const long,const long,const long,const long,const long) {};
54 
55 };
56 
57 }
58 
59 #endif
60 
61 
sc::PTNum
PTNum is the base class for the numerator in various (T) models.
Definition: ptnum.h:38
sc::PTNum::i1xn
std::vector< Tensor * > i1xn
intermediate tensors
Definition: ptnum.h:46
sc::PTNum::in
std::vector< Tensor * > in
input tensors
Definition: ptnum.h:44
sc::RefCount
The base class for all reference counted objects.
Definition: ref.h:192
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
sc::CCR12_Info
CCR12_Info is the compilation of members that are used in CC and CC-R12 methods.
Definition: ccr12_info.h:50

Generated at Sun Jan 26 2020 23:23:57 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.