MPQC  3.0.0-alpha
ccsd_sub_r12_right.h
1 //
2 // ccsd_sub_r12_right.h --- computes the rhs numerator of the CCSD(2)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 #ifndef _chemistry_qc_ccr12_ccsd_sub_r12_right_h
29 #define _chemistry_qc_ccr12_ccsd_sub_r12_right_h
30 
31 #include <chemistry/qc/ccr12/ccr12_info.h>
32 
33 namespace sc {
34 
35 class CCSD_SUB_R12_RIGHT : public RefCount {
36 
37  protected:
38 
39  CCR12_Info* z;
40 
41  std::vector<Tensor*> in;
42 
43  void offset_smith_0_1();
44  void smith_0_1_0(); //z->vd2()=>in.at(1)
45  void offset_smith_1_1();
46  void smith_1_1_0(); //z->f1()=>in.at(2)
47  void smith_2_10(); //z->t1(),z->v2()=>in.at(2)
48  void smith_1_1(); //z->fy(),in.at(2)=>in.at(1)
49  void offset_smith_1_12();
50  void smith_2_12(); //z->t1(),z->fy()=>in.at(2)
51  void smith_1_12(); //z->v2(),in.at(2)=>in.at(1)
52  void smith_0_1(Ref<Tensor>&); //z->t2(),in.at(1)=>Ref<Tensor>&
53  void smith_0_2(Ref<Tensor>&); //z->vd2()=>Ref<Tensor>&
54  void offset_smith_0_3();
55  void smith_1_3(); //z->t1(),z->fy()=>in.at(1)
56  void smith_0_3(Ref<Tensor>&); //z->v2(),in.at(1)=>Ref<Tensor>&
57  void offset_smith_0_4();
58  void smith_0_4_0(); //z->vd2()=>in.at(1)
59  void offset_smith_1_5();
60  void smith_2_5(); //z->t1(),z->fy()=>in.at(2)
61  void smith_1_5(); //z->v2(),in.at(2)=>in.at(1)
62  void smith_1_6(); //z->t1(),z->vd2()=>in.at(1)
63  void smith_0_4(Ref<Tensor>&); //z->t1(),in.at(1)=>Ref<Tensor>&
64  void offset_smith_0_7();
65  void offset_smith_1_7();
66  void smith_1_7_0(); //z->v2()=>in.at(2)
67  void smith_2_11(); //z->t1(),z->v2()=>in.at(2)
68  void smith_1_7(); //z->t2(),in.at(2)=>in.at(1)
69  void offset_smith_1_9();
70  void offset_smith_2_9();
71  void smith_3_9(); //z->t1(),z->v2()=>in.at(3)
72  void smith_2_9(); //z->t1(),in.at(3)=>in.at(2)
73  void smith_1_9(); //z->t1(),in.at(2)=>in.at(1)
74  void smith_0_7(Ref<Tensor>&); //z->fy(),in.at(1)=>Ref<Tensor>&
75 
76  public:
79 
80  void compute_amp(Ref<Tensor>&);
81 
82 };
83 
84 
85 
86 }
87 
88 #endif
89 
90 
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc::CCSD_SUB_R12_RIGHT
Definition: ccsd_sub_r12_right.h:35
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

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