2
#include <libdpd/dpd.h>
10
if(params.ref == 0 || params.ref == 1) { /** RHF/ROHF **/
12
dpd_buf4_init(&V, CC_MISC, 0, 2, 2, 2, 2, 0, "VMNIJ");
13
dpd_buf4_init(&T, CC_TAMPS, 0, 2, 7, 2, 7, 0, "tauIJAB");
14
dpd_buf4_init(&L, CC_LAMPS, 0, 2, 7, 2, 7, 0, "LIJAB");
15
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
20
dpd_buf4_init(&V, CC_MISC, 0, 2, 2, 2, 2, 0, "Vmnij");
21
dpd_buf4_init(&T, CC_TAMPS, 0, 2, 7, 2, 7, 0, "tauijab");
22
dpd_buf4_init(&L, CC_LAMPS, 0, 2, 7, 2, 7, 0, "Lijab");
23
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
28
dpd_buf4_init(&V, CC_MISC, 0, 0, 0, 0, 0, 0, "VMnIj");
29
dpd_buf4_init(&T, CC_TAMPS, 0, 0, 5, 0, 5, 0, "tauIjAb");
30
dpd_buf4_init(&L, CC_LAMPS, 0, 0, 5, 0, 5, 0, "LIjAb");
31
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
36
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "VIAJB");
37
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAJB");
38
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAJB");
39
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
42
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
43
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAjb");
44
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 1.0);
49
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "Viajb");
50
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tiajb");
51
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "Liajb");
52
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
55
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAjb");
57
dpd_contract444(&T, &L, &V, 1, 1, 1.0, 1.0);
62
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "VIAjb");
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dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
64
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "Liajb");
65
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
68
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAJB");
69
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAjb");
70
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 1.0);
75
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "ViaJB");
76
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tiaJB");
77
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAJB");
78
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
81
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tiajb");
82
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIAjb");
83
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 1.0);
88
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "ViAjB");
89
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LIbjA");
90
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tjAIb");
91
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 0.0);
96
dpd_buf4_init(&V, CC_MISC, 0, 10, 10, 10, 10, 0, "VIaJb");
97
dpd_buf4_init(&L, CC_LAMPS, 0, 10, 10, 10, 10, 0, "LjAIb");
98
dpd_buf4_init(&T, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIbjA");
99
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 0.0);
104
else if(params.ref == 2) { /** UHF **/
105
dpd_buf4_init(&V, CC_MISC, 0, 2, 2, 2, 2, 0, "VMNIJ");
106
dpd_buf4_init(&T, CC_TAMPS, 0, 2, 7, 2, 7, 0, "tauIJAB");
107
dpd_buf4_init(&L, CC_LAMPS, 0, 2, 7, 2, 7, 0, "LIJAB");
108
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
113
dpd_buf4_init(&V, CC_MISC, 0, 12, 12, 12, 12, 0, "Vmnij");
114
dpd_buf4_init(&T, CC_TAMPS, 0, 12, 17, 12, 17, 0, "tauijab");
115
dpd_buf4_init(&L, CC_LAMPS, 0, 12, 17, 12, 17, 0, "Lijab");
116
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
121
dpd_buf4_init(&V, CC_MISC, 0, 22, 22, 22, 22, 0, "VMnIj");
122
dpd_buf4_init(&T, CC_TAMPS, 0, 22, 28, 22, 28, 0, "tauIjAb");
123
dpd_buf4_init(&L, CC_LAMPS, 0, 22, 28, 22, 28, 0, "LIjAb");
124
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
129
dpd_buf4_init(&V, CC_MISC, 0, 20, 20, 20, 20, 0, "VIAJB");
130
dpd_buf4_init(&T, CC_TAMPS, 0, 20, 20, 20, 20, 0, "tIAJB");
131
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 20, 20, 20, 0, "LIAJB");
132
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
135
dpd_buf4_init(&T, CC_TAMPS, 0, 20, 30, 20, 30, 0, "tIAjb");
136
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 30, 20, 30, 0, "LIAjb");
137
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 1.0);
142
dpd_buf4_init(&V, CC_MISC, 0, 30, 30, 30, 30, 0, "Viajb");
143
dpd_buf4_init(&T, CC_TAMPS, 0, 30, 30, 30, 30, 0, "tiajb");
144
dpd_buf4_init(&L, CC_LAMPS, 0, 30, 30, 30, 30, 0, "Liajb");
145
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
148
dpd_buf4_init(&T, CC_TAMPS, 0, 20, 30, 20, 30, 0, "tIAjb");
149
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 30, 20, 30, 0, "LIAjb");
150
dpd_contract444(&T, &L, &V, 1, 1, 1.0, 1.0);
155
dpd_buf4_init(&V, CC_MISC, 0, 20, 30, 20, 30, 0, "VIAjb");
156
dpd_buf4_init(&T, CC_TAMPS, 0, 20, 30, 20, 30, 0, "tIAjb");
157
dpd_buf4_init(&L, CC_LAMPS, 0, 30, 30, 30, 30, 0, "Liajb");
158
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
161
dpd_buf4_init(&T, CC_TAMPS, 0, 20, 20, 20, 20, 0, "tIAJB");
162
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 30, 20, 30, 0, "LIAjb");
163
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 1.0);
168
dpd_buf4_init(&V, CC_MISC, 0, 30, 20, 30, 20, 0, "ViaJB");
169
dpd_buf4_init(&T, CC_TAMPS, 0, 30, 20, 30, 20, 0, "tiaJB");
170
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 20, 20, 20, 0, "LIAJB");
171
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 0.0);
174
dpd_buf4_init(&T, CC_TAMPS, 0, 30, 30, 30, 30, 0, "tiajb");
175
dpd_buf4_init(&L, CC_LAMPS, 0, 20, 30, 20, 30, 0, "LIAjb");
176
dpd_contract444(&T, &L, &V, 0, 0, 1.0, 1.0);
181
dpd_buf4_init(&V, CC_MISC, 0, 27, 27, 27, 27, 0, "ViAjB");
182
dpd_buf4_init(&L, CC_LAMPS, 0, 24, 27, 24, 27, 0, "LIbjA");
183
dpd_buf4_init(&T, CC_TAMPS, 0, 27, 24, 27, 24, 0, "tjAIb");
184
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 0.0);
189
dpd_buf4_init(&V, CC_MISC, 0, 24, 24, 24, 24, 0, "VIaJb");
190
dpd_buf4_init(&L, CC_LAMPS, 0, 27, 24, 27, 24, 0, "LjAIb");
191
dpd_buf4_init(&T, CC_TAMPS, 0, 24, 27, 24, 27, 0, "tIbjA");
192
dpd_contract444(&T, &L, &V, 0, 1, 1.0, 0.0);