LIBINT  2.1.0-stable
master_rrs_list.h
1 /*
2  * This file is a part of Libint.
3  * Copyright (C) 2004-2014 Edward F. Valeev
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
16  * along with this program. If not, see http://www.gnu.org/licenses/.
17  *
18  */
19 
20 #ifndef _libint2_src_bin_libint_masterrrslist_h_
21 #define _libint2_src_bin_libint_masterrrslist_h_
22 
23 #include <boost/mpl/list.hpp>
24 
25 #include <master_ints_list.h>
26 #include <hrr.h>
27 #include <vrr_1_onep_1.h>
28 #include <vrr_11_twoprep_11.h>
29 #include <vrr_11_r12kg12_11.h>
30 #include <itr_11_twoprep_11.h>
31 #include <comp_11_r12kr12lg12_11.h>
32 #include <comp_11_tig12_11.h>
33 #include <comp_11_g12tig12_11.h>
34 #include <comp_11_DivG12prime_xTx_11.h>
35 #include <comp_deriv_gauss.h>
36 #include <comp_xyz.h>
37 #include <generic_rr.h>
38 
39 // master list of types and typedefs that describe capabilities of Libint2
40 // should not be used unless absolutely necessary.
41 // exception: strategy.cc and build_libint.cc, which depend on the entire typelist
42 
43 namespace libint2 {
44 
46  // RRs
48  typedef HRR<TwoPRep_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_TwoPRep_11_sh;
49  typedef HRR<TwoPRep_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_TwoPRep_11_sh;
50  typedef HRR<TwoPRep_11_11_sq,CGShell,0,InKet,0,InBra,0> HRR_ba_11_TwoPRep_11_sh;
51  typedef HRR<TwoPRep_11_11_sq,CGShell,1,InKet,0,InBra,0> HRR_dc_11_TwoPRep_11_sh;
52  typedef HRR<R12kG12_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_R12kG12_11_sh;
53  typedef HRR<R12kG12_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_R12kG12_11_sh;
54  typedef HRR<R12kG12_11_11_sq,CGShell,0,InKet,0,InBra,0> HRR_ba_11_R12kG12_11_sh;
55  typedef HRR<R12kG12_11_11_sq,CGShell,1,InKet,0,InBra,0> HRR_dc_11_R12kG12_11_sh;
56  typedef HRR<R12kR12lG12_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_R12kR12lG12_11_sh;
57  typedef HRR<R12kR12lG12_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_R12kR12lG12_11_sh;
58  typedef HRR<TiG12_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_TiG12_11_sh;
59  typedef HRR<TiG12_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_TiG12_11_sh;
60  typedef HRR<G12TiG12_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_G12TiG12_11_sh;
61  typedef HRR<G12TiG12_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_G12TiG12_11_sh;
62  typedef HRR<DivG12prime_xTx_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_DivG12prime_xTx_sh;
63  typedef HRR<DivG12prime_xTx_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_DivG12prime_xTx_sh;
64 
65  typedef HRR<TwoPRep_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_TwoPRep_11_int;
66  typedef HRR<TwoPRep_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_TwoPRep_11_int;
67  typedef HRR<TwoPRep_11_11_int,CGF,0,InKet,0,InBra,0> HRR_ba_11_TwoPRep_11_int;
68  typedef HRR<TwoPRep_11_11_int,CGF,1,InKet,0,InBra,0> HRR_dc_11_TwoPRep_11_int;
69  typedef HRR<R12kG12_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_R12kG12_11_int;
70  typedef HRR<R12kG12_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_R12kG12_11_int;
71  typedef HRR<R12kG12_11_11_int,CGF,0,InKet,0,InBra,0> HRR_ba_11_R12kG12_11_int;
72  typedef HRR<R12kG12_11_11_int,CGF,1,InKet,0,InBra,0> HRR_dc_11_R12kG12_11_int;
73  typedef HRR<R12kR12lG12_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_R12kR12lG12_11_int;
74  typedef HRR<R12kR12lG12_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_R12kR12lG12_11_int;
75  typedef HRR<TiG12_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_TiG12_11_int;
76  typedef HRR<TiG12_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_TiG12_11_int;
77  typedef HRR<G12TiG12_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_G12TiG12_11_int;
78  typedef HRR<G12TiG12_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_G12TiG12_11_int;
79  typedef HRR<DivG12prime_xTx_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_DivG12prime_xTx_int;
80  typedef HRR<DivG12prime_xTx_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_DivG12prime_xTx_int;
81 
82  typedef HRR<DummySymmIntegral_11_11_sq,CGShell,0,InBra,0,InKet,0> HRR_ab_11_Dummy_11_sh;
83  typedef HRR<DummySymmIntegral_11_11_sq,CGShell,1,InBra,0,InKet,0> HRR_cd_11_Dummy_11_sh;
84  typedef HRR<DummySymmIntegral_11_11_sq,CGShell,0,InKet,0,InBra,0> HRR_ba_11_Dummy_11_sh;
85  typedef HRR<DummySymmIntegral_11_11_sq,CGShell,1,InKet,0,InBra,0> HRR_dc_11_Dummy_11_sh;
86  typedef HRR<DummySymmIntegral_11_11_int,CGF,0,InBra,0,InKet,0> HRR_ab_11_Dummy_11_int;
87  typedef HRR<DummySymmIntegral_11_11_int,CGF,1,InBra,0,InKet,0> HRR_cd_11_Dummy_11_int;
88  typedef HRR<DummySymmIntegral_11_11_int,CGF,0,InKet,0,InBra,0> HRR_ba_11_Dummy_11_int;
89  typedef HRR<DummySymmIntegral_11_11_int,CGF,1,InKet,0,InBra,0> HRR_dc_11_Dummy_11_int;
90 
91 #if LIBINT_SUPPORT_ONEBODYINTS
92  typedef HRR<Overlap_1_1_sh,CGShell,0,InBra,0,InKet,0> HRR_ab_1_Overlap_1_sh;
93  typedef HRR<Overlap_1_1_int,CGF,0,InBra,0,InKet,0> HRR_ab_1_Overlap_1_int;
94  typedef HRR<Overlap_1_1_sh,CGShell,0,InKet,0,InBra,0> HRR_ba_1_Overlap_1_sh;
95  typedef HRR<Overlap_1_1_int,CGF,0,InKet,0,InBra,0> HRR_ba_1_Overlap_1_int;
96 
97  typedef HRR<ElecPot_1_1_sh,CGShell,0,InBra,0,InKet,0> HRR_ab_1_ElecPot_1_sh;
98  typedef HRR<ElecPot_1_1_int,CGF,0,InBra,0,InKet,0> HRR_ab_1_ElecPot_1_int;
99  typedef HRR<ElecPot_1_1_sh,CGShell,0,InKet,0,InBra,0> HRR_ba_1_ElecPot_1_sh;
100  typedef HRR<ElecPot_1_1_int,CGF,0,InKet,0,InBra,0> HRR_ba_1_ElecPot_1_int;
101 
102  typedef VRR_1_Overlap_1<CGShell,InBra> VRR_a_1_Overlap_1_sh;
103  typedef VRR_1_Overlap_1<CGF,InBra> VRR_a_1_Overlap_1_int;
104  typedef VRR_1_Overlap_1<CGShell,InKet> VRR_b_1_Overlap_1_sh;
105  typedef VRR_1_Overlap_1<CGF,InKet> VRR_b_1_Overlap_1_int;
106 
107  typedef VRR_1_Overlap_1_1d<CartesianAxis_X,InBra> VRR_a_1_Overlap_1_int_x;
108  typedef VRR_1_Overlap_1_1d<CartesianAxis_Y,InBra> VRR_a_1_Overlap_1_int_y;
109  typedef VRR_1_Overlap_1_1d<CartesianAxis_Z,InBra> VRR_a_1_Overlap_1_int_z;
110  typedef VRR_1_Overlap_1_1d<CartesianAxis_X,InKet> VRR_b_1_Overlap_1_int_x;
111  typedef VRR_1_Overlap_1_1d<CartesianAxis_Y,InKet> VRR_b_1_Overlap_1_int_y;
112  typedef VRR_1_Overlap_1_1d<CartesianAxis_Z,InKet> VRR_b_1_Overlap_1_int_z;
113 
114  typedef VRR_1_Kinetic_1<CGShell,InBra> VRR_a_1_Kinetic_1_sh;
115  typedef VRR_1_Kinetic_1<CGF,InBra> VRR_a_1_Kinetic_1_int;
116  typedef VRR_1_Kinetic_1<CGShell,InKet> VRR_b_1_Kinetic_1_sh;
117  typedef VRR_1_Kinetic_1<CGF,InKet> VRR_b_1_Kinetic_1_int;
118 
119  typedef VRR_1_ElecPot_1<CGShell,InBra> VRR_a_1_ElecPot_1_sh;
120  typedef VRR_1_ElecPot_1<CGF,InBra> VRR_a_1_ElecPot_1_int;
121  typedef VRR_1_ElecPot_1<CGShell,InKet> VRR_b_1_ElecPot_1_sh;
122  typedef VRR_1_ElecPot_1<CGF,InKet> VRR_b_1_ElecPot_1_int;
123 #endif
124 
125  typedef VRR_11_TwoPRep_11<CGShell,0,InBra> VRR_a_11_TwoPRep_11_sh;
126  typedef VRR_11_TwoPRep_11<CGShell,1,InBra> VRR_c_11_TwoPRep_11_sh;
127  typedef VRR_11_TwoPRep_11<CGF,0,InBra> VRR_a_11_TwoPRep_11_int;
128  typedef VRR_11_TwoPRep_11<CGF,1,InBra> VRR_c_11_TwoPRep_11_int;
129  typedef VRR_11_TwoPRep_11<CGShell,0,InKet> VRR_b_11_TwoPRep_11_sh;
130  typedef VRR_11_TwoPRep_11<CGShell,1,InKet> VRR_d_11_TwoPRep_11_sh;
131  typedef VRR_11_TwoPRep_11<CGF,0,InKet> VRR_b_11_TwoPRep_11_int;
132  typedef VRR_11_TwoPRep_11<CGF,1,InKet> VRR_d_11_TwoPRep_11_int;
133 
134  typedef VRR_11_R12kG12_11<CGShell,0,InBra> VRR_a_11_R12kG12_11_sh;
135  typedef VRR_11_R12kG12_11<CGShell,1,InBra> VRR_c_11_R12kG12_11_sh;
136  typedef VRR_11_R12kG12_11<CGF,0,InBra> VRR_a_11_R12kG12_11_int;
137  typedef VRR_11_R12kG12_11<CGF,1,InBra> VRR_c_11_R12kG12_11_int;
138  typedef VRR_11_R12kG12_11<CGShell,0,InKet> VRR_b_11_R12kG12_11_sh;
139  typedef VRR_11_R12kG12_11<CGShell,1,InKet> VRR_d_11_R12kG12_11_sh;
140  typedef VRR_11_R12kG12_11<CGF,0,InKet> VRR_b_11_R12kG12_11_int;
141  typedef VRR_11_R12kG12_11<CGF,1,InKet> VRR_d_11_R12kG12_11_int;
142 
143  typedef CR_11_R12kR12lG12_11<CGShell> CR_11_R12kR12lG12_11_sh;
144  typedef CR_11_R12kR12lG12_11<CGF> CR_11_R12kR12lG12_11_int;
145 
146  typedef CR_11_TiG12_11<CGShell> CR_11_TiG12_11_sh;
147  typedef CR_11_TiG12_11<CGF> CR_11_TiG12_11_int;
148 
149  typedef CR_11_G12TiG12_11<CGShell> CR_11_G12TiG12_11_sh;
150  typedef CR_11_G12TiG12_11<CGF> CR_11_G12TiG12_11_int;
151 
152  typedef CR_11_DivG12prime_xTx_11<CGShell> CR_11_DivG12prime_xTx_11_sh;
153  typedef CR_11_DivG12prime_xTx_11<CGF> CR_11_DivG12prime_xTx_11_int;
154 
155  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGShell,0,InBra> ITR_a_11_TwoPRep_11_sh;
156  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGF,0,InBra> ITR_a_11_TwoPRep_11_int;
157  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGShell,0,InKet> ITR_b_11_TwoPRep_11_sh;
158  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGF,0,InKet> ITR_b_11_TwoPRep_11_int;
159  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGShell,1,InBra> ITR_c_11_TwoPRep_11_sh;
160  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGF,1,InBra> ITR_c_11_TwoPRep_11_int;
161  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGShell,1,InKet> ITR_d_11_TwoPRep_11_sh;
162  typedef ITR_11_TwoPRep_11<GenIntegralSet_11_11,CGF,1,InKet> ITR_d_11_TwoPRep_11_int;
163 
164  typedef CR_DerivGauss<TwoPRep_11_11_sq,0,InBra> Deriv_a_11_TwoPRep_11_sh;
165  typedef CR_DerivGauss<TwoPRep_11_11_sq,0,InKet> Deriv_b_11_TwoPRep_11_sh;
166  typedef CR_DerivGauss<TwoPRep_11_11_sq,1,InBra> Deriv_c_11_TwoPRep_11_sh;
167  typedef CR_DerivGauss<TwoPRep_11_11_sq,1,InKet> Deriv_d_11_TwoPRep_11_sh;
168  typedef CR_DerivGauss<TwoPRep_11_11_int,0,InBra> Deriv_a_11_TwoPRep_11_int;
169  typedef CR_DerivGauss<TwoPRep_11_11_int,0,InKet> Deriv_b_11_TwoPRep_11_int;
170  typedef CR_DerivGauss<TwoPRep_11_11_int,1,InBra> Deriv_c_11_TwoPRep_11_int;
171  typedef CR_DerivGauss<TwoPRep_11_11_int,1,InKet> Deriv_d_11_TwoPRep_11_int;
172 
173 };
174 
175 #endif // header guard
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:23