MPQC  3.0.0-alpha
ccsd_2t_pr12_right.h
1 //
2 // ccsd_2t_pr12_right.h --- a numerator of the (2)T correction to CCSD(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_2t_pr12_right_h
29 #define _chemistry_qc_ccr12_ccsd_2t_pr12_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_4();
43  void smith_1_4_0(); //z->v2()=>in.at(2)
44  void offset_smith_2_10();
45  void smith_2_10_0(); //z->v2()=>in.at(3)
46  void smith_3_25(); //z->t1(),z->v2()=>in.at(3)
47  void smith_2_10(); //z->t1(),in.at(3)=>in.at(2)
48  void smith_2_32(); //z->t2(),z->v2()=>in.at(2)
49  void smith_2_38(); //z->c2(),z->vr2()=>in.at(2)
50  void smith_1_4(); //z->t1(),in.at(2)=>in.at(1x0)
51  void offset_smith_1_5();
52  void smith_1_5_0(); //z->v2()=>in.at(2)
53  void smith_2_11(); //z->t1(),z->v2()=>in.at(2)
54  void smith_1_5(); //z->t1(),in.at(2)=>in.at(1x0)
55  void offset_smith_1_17();
56  void smith_1_17_0(); //z->v2()=>in.at(2)
57  void smith_2_31(); //z->t1(),z->v2()=>in.at(2)
58  void smith_1_17(); //z->t2(),in.at(2)=>in.at(1x0)
59  void smith_1_19(); //z->t2(),z->v2()=>in.at(1x0)
60  void offset_smith_1_22();
61  void smith_1_22_0(); //z->v2()=>in.at(2)
62  void smith_2_37(); //z->t1(),z->v2()=>in.at(2)
63  void smith_1_22(); //z->qy(),in.at(2)=>in.at(1x0)
64  void smith_1_24(); //z->c2(),z->vr2()=>in.at(1x0)
65  void offset_smith_1_29();
66  void smith_2_29(); //z->t1(),z->v2()=>in.at(2)
67  void smith_1_29(); //z->t2(),in.at(2)=>in.at(1x0)
68  void offset_smith_1_35();
69  void smith_2_35(); //z->t1(),z->v2()=>in.at(2)
70  void smith_1_35(); //z->qy(),in.at(2)=>in.at(1x0)
71  void smith_0_1(double*,const long,const long,const long,const long,const long,const long);
72  void offset_smith_0_2();
73  void smith_0_2_0(); //z->v2()=>in.at(1x1)
74  void offset_smith_1_6();
75  void smith_1_6_0(); //z->v2()=>in.at(2)
76  void offset_smith_2_12();
77  void smith_2_12_0(); //z->v2()=>in.at(3)
78  void smith_3_26(); //z->t1(),z->v2()=>in.at(3)
79  void smith_2_12(); //z->t1(),in.at(3)=>in.at(2)
80  void smith_2_13(); //z->t1(),z->v2()=>in.at(2)
81  void smith_2_30(); //z->t2(),z->v2()=>in.at(2)
82  void smith_2_36(); //z->qy(),z->v2()=>in.at(2)
83  void smith_1_6(); //z->t1(),in.at(2)=>in.at(1x1)
84  void smith_1_7(); //z->t1(),z->v2()=>in.at(1x1)
85  void offset_smith_1_16();
86  void smith_1_16_0(); //z->v2()=>in.at(2)
87  void smith_2_28(); //z->t1(),z->v2()=>in.at(2)
88  void smith_1_16(); //z->t2(),in.at(2)=>in.at(1x1)
89  void smith_1_18(); //z->t2(),z->v2()=>in.at(1x1)
90  void smith_1_23(); //z->qy(),z->v2()=>in.at(1x1)
91  void smith_0_2(double*,const long,const long,const long,const long,const long,const long);
92  void offset_smith_0_3();
93  void smith_0_3_0(); //z->v2()=>in.at(1x2)
94  void offset_smith_1_8();
95  void smith_1_8_0(); //z->v2()=>in.at(2)
96  void offset_smith_2_27();
97  void smith_3_27(); //z->t1(),z->v2()=>in.at(3)
98  void smith_2_27(); //z->t1(),in.at(3)=>in.at(2)
99  void smith_2_33(); //z->t2(),z->v2()=>in.at(2)
100  void smith_1_8(); //z->t1(),in.at(2)=>in.at(1x2)
101  void smith_1_9(); //z->t1(),z->v2()=>in.at(1x2)
102  void offset_smith_1_14();
103  void smith_2_14(); //z->t1(),z->t1()=>in.at(2)
104  void smith_1_14(); //z->v2(),in.at(2)=>in.at(1x2)
105  void offset_smith_1_15();
106  void smith_2_15(); //z->t1(),z->t1()=>in.at(2)
107  void smith_1_15(); //z->v2(),in.at(2)=>in.at(1x2)
108  void offset_smith_1_20();
109  void smith_1_20_0(); //z->v2()=>in.at(2)
110  void smith_2_34(); //z->t1(),z->v2()=>in.at(2)
111  void smith_1_20(); //z->t2(),in.at(2)=>in.at(1x2)
112  void smith_1_21(); //z->t2(),z->v2()=>in.at(1x2)
113  void smith_0_3(double*,const long,const long,const long,const long,const long,const long);
114 
115  public:
117 
118  void compute_amp(double*,const long,const long,const long,const long,const long,const long,const long);
119 
120 };
121 
122 
123 
124 }
125 
126 #endif
127 
128 
sc::Parenthesis2tNum
PTNum is the base class for the numerator in various (2)T/(2)Q models.
Definition: parenthesis2tnum.h:38
sc::CCSD_2T_PR12_RIGHT
Definition: ccsd_2t_pr12_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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