MPQC 3.0.0-alpha
Loading...
Searching...
No Matches
build.h
1#ifndef _chemistry_qc_oint3_build_h
2#define _chemistry_qc_oint3_build_h
3
4#include <mpqc_config.h>
5#include <chemistry/qc/intv3/array.h>
6
7namespace sc {
8
9#define MG 3
10
11#define DECLARE_BUILD(ii,j,k,l) \
12 int i ## ii ## j ## k ## l ();\
13 int i ## ii ## j ## k ## l ## eAB ()
14
15class BuildIntV3 {
16 public:
17 double int_v_ooze;
18 double int_v_zeta12;
19 double int_v_zeta34;
20 double int_v_oo2zeta12;
21 double int_v_oo2zeta34;
22 double int_v_W0;
23 double int_v_W1;
24 double int_v_W2;
25 double int_v_p120;
26 double int_v_p121;
27 double int_v_p122;
28 double int_v_p340;
29 double int_v_p341;
30 double int_v_p342;
31 double int_v_r10;
32 double int_v_r11;
33 double int_v_r12;
34 double int_v_r20;
35 double int_v_r21;
36 double int_v_r22;
37 double int_v_r30;
38 double int_v_r31;
39 double int_v_r32;
40 double int_v_r40;
41 double int_v_r41;
42 double int_v_r42;
43 double int_v_k12;
44 double int_v_k34;
45 IntV3Arraydoublep3 int_v_list;
46 public:
47 BuildIntV3();
48 ~BuildIntV3();
49
50 int impossible_integral();
51
52#if (MG == 1) || (MG == 2) || (MG == 3) || (MG == 4)
53 DECLARE_BUILD(0,1,0,0);
54 DECLARE_BUILD(0,1,0,1);
55 DECLARE_BUILD(0,1,1,1);
56 DECLARE_BUILD(1,1,0,0);
57 DECLARE_BUILD(1,1,1,1);
58#endif
59
60#if (MG == 2) || (MG == 3) || (MG == 4)
61 DECLARE_BUILD(0,2,0,0);
62 DECLARE_BUILD(0,2,0,1);
63 DECLARE_BUILD(0,2,0,2);
64 DECLARE_BUILD(0,2,1,1);
65 DECLARE_BUILD(0,2,1,2);
66 DECLARE_BUILD(0,2,2,2);
67 DECLARE_BUILD(1,2,0,0);
68 DECLARE_BUILD(1,2,0,1);
69 DECLARE_BUILD(1,2,1,1);
70 DECLARE_BUILD(1,2,1,2);
71 DECLARE_BUILD(1,2,2,2);
72 DECLARE_BUILD(2,2,0,0);
73 DECLARE_BUILD(2,2,0,1);
74 DECLARE_BUILD(2,2,1,1);
75 DECLARE_BUILD(2,2,2,2);
76#endif
77
78#if (MG == 3) || (MG == 4)
79 DECLARE_BUILD(0,3,0,0);
80 DECLARE_BUILD(0,3,0,1);
81 DECLARE_BUILD(0,3,0,2);
82 DECLARE_BUILD(0,3,0,3);
83 DECLARE_BUILD(0,3,1,1);
84 DECLARE_BUILD(0,3,1,2);
85 DECLARE_BUILD(0,3,1,3);
86 DECLARE_BUILD(0,3,2,2);
87 DECLARE_BUILD(0,3,2,3);
88 DECLARE_BUILD(0,3,3,3);
89 DECLARE_BUILD(1,3,0,0);
90 DECLARE_BUILD(1,3,0,1);
91 DECLARE_BUILD(1,3,0,2);
92 DECLARE_BUILD(1,3,1,1);
93 DECLARE_BUILD(1,3,1,2);
94 DECLARE_BUILD(1,3,1,3);
95 DECLARE_BUILD(1,3,2,2);
96 DECLARE_BUILD(1,3,2,3);
97 DECLARE_BUILD(1,3,3,3);
98 DECLARE_BUILD(2,3,0,0);
99 DECLARE_BUILD(2,3,0,1);
100 DECLARE_BUILD(2,3,0,2);
101 DECLARE_BUILD(2,3,1,1);
102 DECLARE_BUILD(2,3,1,2);
103 DECLARE_BUILD(2,3,2,2);
104 DECLARE_BUILD(2,3,2,3);
105 DECLARE_BUILD(2,3,3,3);
106 DECLARE_BUILD(3,3,0,0);
107 DECLARE_BUILD(3,3,0,1);
108 DECLARE_BUILD(3,3,0,2);
109 DECLARE_BUILD(3,3,1,1);
110 DECLARE_BUILD(3,3,1,2);
111 DECLARE_BUILD(3,3,2,2);
112 DECLARE_BUILD(3,3,3,3);
113#endif
114};
115
116}
117
118#endif
sc::BuildIntV3
Definition build.h:15
sc::IntV3Arraydoublep3
Definition array.h:75
sc
Contains all MPQC code up to version 3.
Definition mpqcin.h:14
Generated at Wed Sep 25 2024 02:45:30 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.