MPQC  3.0.0-alpha
ccsd_2t_right.h
1 //
2 // ccsd_2t_right.h -- a numerator of the (2)T correction to CCSD
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_2t_right_h
29 #define _chemistry_qc_ccr12_ccsd_2t_right_h
30 
31 #include <chemistry/qc/ccr12/ccr12_info.h>
32 #include <chemistry/qc/ccr12/parenthesis2tnum.h>
33 
34 namespace sc {
35 
37 
38  protected:
39 
40  void offset_smith_0_1();
41  void smith_0_1_0(); //z->v2()=>in.at(1x0)
42  void offset_smith_1_1();
43  void smith_1_1_0(); //z->f1()=>in.at(2)
44  void smith_2_19(); //z->t1(),z->v2()=>in.at(2)
45  void smith_1_1(); //z->t2(),in.at(2)=>in.at(1x0)
46  void offset_smith_1_4();
47  void smith_1_4_0(); //z->v2()=>in.at(2)
48  void offset_smith_2_8();
49  void smith_2_8_0(); //z->v2()=>in.at(3)
50  void smith_3_16(); //z->t1(),z->v2()=>in.at(3)
51  void smith_2_8(); //z->t1(),in.at(3)=>in.at(2)
52  void smith_2_22(); //z->t2(),z->v2()=>in.at(2)
53  void smith_1_4(); //z->t1(),in.at(2)=>in.at(1x0)
54  void offset_smith_1_5();
55  void smith_1_5_0(); //z->v2()=>in.at(2)
56  void smith_2_9(); //z->t1(),z->v2()=>in.at(2)
57  void smith_1_5(); //z->t1(),in.at(2)=>in.at(1x0)
58  void offset_smith_1_13();
59  void smith_1_13_0(); //z->v2()=>in.at(2)
60  void smith_2_21(); //z->t1(),z->v2()=>in.at(2)
61  void smith_1_13(); //z->t2(),in.at(2)=>in.at(1x0)
62  void smith_1_15(); //z->t2(),z->v2()=>in.at(1x0)
63  void smith_0_1(double*,const long,const long,const long,const long,const long,const long);
64  void offset_smith_0_3();
65  void smith_0_3_0(); //z->v2()=>in.at(1x1)
66  void offset_smith_1_6();
67  void smith_1_6_0(); //z->v2()=>in.at(2)
68  void offset_smith_2_10();
69  void smith_2_10_0(); //z->v2()=>in.at(3)
70  void smith_3_17(); //z->t1(),z->v2()=>in.at(3)
71  void smith_2_10(); //z->t1(),in.at(3)=>in.at(2)
72  void smith_2_11(); //z->t1(),z->v2()=>in.at(2)
73  void smith_2_20(); //z->t2(),z->v2()=>in.at(2)
74  void smith_1_6(); //z->t1(),in.at(2)=>in.at(1x1)
75  void smith_1_7(); //z->t1(),z->v2()=>in.at(1x1)
76  void offset_smith_1_12();
77  void smith_1_12_0(); //z->v2()=>in.at(2)
78  void smith_2_18(); //z->t1(),z->v2()=>in.at(2)
79  void smith_1_12(); //z->t2(),in.at(2)=>in.at(1x1)
80  void smith_1_14(); //z->t2(),z->v2()=>in.at(1x1)
81  void smith_0_3(double*,const long,const long,const long,const long,const long,const long);
82 
83 
84  public:
86 
87  void compute_amp(double*,const long,const long,const long,const long,const long,const long,const long);
88 
89 };
90 
91 
92 
93 }
94 
95 #endif
96 
97 
sc::Parenthesis2tNum
PTNum is the base class for the numerator in various (2)T/(2)Q models.
Definition: parenthesis2tnum.h:38
sc::CCSD_2T_RIGHT
Definition: ccsd_2t_right.h:36
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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