1 #include "simint/boys/boys.h"
2 #include "simint/ostei/gen/ostei_generated.h"
3 #include "simint/vectorization/vectorization.h"
4 #include <math.h>
5 #include <string.h>
6
7
ostei_g_g_h_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_g_h_g)8 int ostei_g_g_h_g(struct simint_multi_shellpair const P,
9 struct simint_multi_shellpair const Q,
10 double screen_tol,
11 double * const restrict work,
12 double * const restrict INT__g_g_h_g)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__g_g_h_g);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26 int ibra;
27
28 // partition workspace
29 double * const INT__g_s_h_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__g_s_i_s = work + (SIMINT_NSHELL_SIMD * 315);
31 double * const INT__g_s_k_s = work + (SIMINT_NSHELL_SIMD * 735);
32 double * const INT__g_s_l_s = work + (SIMINT_NSHELL_SIMD * 1275);
33 double * const INT__g_s_m_s = work + (SIMINT_NSHELL_SIMD * 1950);
34 double * const INT__h_s_h_s = work + (SIMINT_NSHELL_SIMD * 2775);
35 double * const INT__h_s_i_s = work + (SIMINT_NSHELL_SIMD * 3216);
36 double * const INT__h_s_k_s = work + (SIMINT_NSHELL_SIMD * 3804);
37 double * const INT__h_s_l_s = work + (SIMINT_NSHELL_SIMD * 4560);
38 double * const INT__h_s_m_s = work + (SIMINT_NSHELL_SIMD * 5505);
39 double * const INT__i_s_h_s = work + (SIMINT_NSHELL_SIMD * 6660);
40 double * const INT__i_s_i_s = work + (SIMINT_NSHELL_SIMD * 7248);
41 double * const INT__i_s_k_s = work + (SIMINT_NSHELL_SIMD * 8032);
42 double * const INT__i_s_l_s = work + (SIMINT_NSHELL_SIMD * 9040);
43 double * const INT__i_s_m_s = work + (SIMINT_NSHELL_SIMD * 10300);
44 double * const INT__k_s_h_s = work + (SIMINT_NSHELL_SIMD * 11840);
45 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 12596);
46 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 13604);
47 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 14900);
48 double * const INT__k_s_m_s = work + (SIMINT_NSHELL_SIMD * 16520);
49 double * const INT__l_s_h_s = work + (SIMINT_NSHELL_SIMD * 18500);
50 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 19445);
51 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 20705);
52 double * const INT__l_s_l_s = work + (SIMINT_NSHELL_SIMD * 22325);
53 double * const INT__l_s_m_s = work + (SIMINT_NSHELL_SIMD * 24350);
54 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*26825);
55 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 18;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 69;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 165;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 315;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 525;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 798;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 1134;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_l_s = primwork + 1530;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_m_s = primwork + 1980;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 2475;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 2499;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 2571;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 2715;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 2955;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 3315;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 3819;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 4491;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_l_s = primwork + 5355;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_m_s = primwork + 6435;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 7755;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 7797;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 7923;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 8175;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 8595;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 9225;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 10107;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 11283;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_l_s = primwork + 12795;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_m_s = primwork + 14685;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 16995;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 17055;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 17235;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 17595;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 18195;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 19095;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 20355;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 22035;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_l_s = primwork + 24195;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_m_s = primwork + 26895;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 30195;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 30420;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 30870;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 31620;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 32745;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 34320;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 36420;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_l_s = primwork + 39120;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_m_s = primwork + 42495;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 46620;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 47124;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 47964;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 49224;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 50988;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 53340;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_l_s = primwork + 56364;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_m_s = primwork + 60144;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 64764;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 65604;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 66864;
115 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 68628;
116 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 70980;
117 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_l_s = primwork + 74004;
118 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_m_s = primwork + 77784;
119 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 82404;
120 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 83484;
121 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 84996;
122 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 87012;
123 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 89604;
124 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_m_s = primwork + 92844;
125 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 96804;
126 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 97749;
127 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 99009;
128 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_l_s = primwork + 100629;
129 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_m_s = primwork + 102654;
130 double * const hrrwork = (double *)(primwork + 105129);
131 double * const HRR_INT__g_p_h_s = hrrwork + 0;
132 double * const HRR_INT__g_p_i_s = hrrwork + 945;
133 double * const HRR_INT__g_p_k_s = hrrwork + 2205;
134 double * const HRR_INT__g_p_l_s = hrrwork + 3825;
135 double * const HRR_INT__g_p_m_s = hrrwork + 5850;
136 double * const HRR_INT__g_d_h_s = hrrwork + 8325;
137 double * const HRR_INT__g_d_i_s = hrrwork + 10215;
138 double * const HRR_INT__g_d_k_s = hrrwork + 12735;
139 double * const HRR_INT__g_d_l_s = hrrwork + 15975;
140 double * const HRR_INT__g_d_m_s = hrrwork + 20025;
141 double * const HRR_INT__g_f_h_s = hrrwork + 24975;
142 double * const HRR_INT__g_f_i_s = hrrwork + 28125;
143 double * const HRR_INT__g_f_k_s = hrrwork + 32325;
144 double * const HRR_INT__g_f_l_s = hrrwork + 37725;
145 double * const HRR_INT__g_f_m_s = hrrwork + 44475;
146 double * const HRR_INT__g_g_h_s = hrrwork + 52725;
147 double * const HRR_INT__g_g_h_p = hrrwork + 57450;
148 double * const HRR_INT__g_g_h_d = hrrwork + 71625;
149 double * const HRR_INT__g_g_h_f = hrrwork + 99975;
150 double * const HRR_INT__g_g_i_s = hrrwork + 147225;
151 double * const HRR_INT__g_g_i_p = hrrwork + 153525;
152 double * const HRR_INT__g_g_i_d = hrrwork + 172425;
153 double * const HRR_INT__g_g_i_f = hrrwork + 210225;
154 double * const HRR_INT__g_g_k_s = hrrwork + 273225;
155 double * const HRR_INT__g_g_k_p = hrrwork + 281325;
156 double * const HRR_INT__g_g_k_d = hrrwork + 305625;
157 double * const HRR_INT__g_g_l_s = hrrwork + 354225;
158 double * const HRR_INT__g_g_l_p = hrrwork + 364350;
159 double * const HRR_INT__g_g_m_s = hrrwork + 394725;
160 double * const HRR_INT__h_p_h_s = hrrwork + 407100;
161 double * const HRR_INT__h_p_i_s = hrrwork + 408423;
162 double * const HRR_INT__h_p_k_s = hrrwork + 410187;
163 double * const HRR_INT__h_p_l_s = hrrwork + 412455;
164 double * const HRR_INT__h_p_m_s = hrrwork + 415290;
165 double * const HRR_INT__h_d_h_s = hrrwork + 418755;
166 double * const HRR_INT__h_d_i_s = hrrwork + 421401;
167 double * const HRR_INT__h_d_k_s = hrrwork + 424929;
168 double * const HRR_INT__h_d_l_s = hrrwork + 429465;
169 double * const HRR_INT__h_d_m_s = hrrwork + 435135;
170 double * const HRR_INT__h_f_h_s = hrrwork + 442065;
171 double * const HRR_INT__h_f_i_s = hrrwork + 446475;
172 double * const HRR_INT__h_f_k_s = hrrwork + 452355;
173 double * const HRR_INT__h_f_l_s = hrrwork + 459915;
174 double * const HRR_INT__h_f_m_s = hrrwork + 469365;
175 double * const HRR_INT__i_p_h_s = hrrwork + 480915;
176 double * const HRR_INT__i_p_i_s = hrrwork + 482679;
177 double * const HRR_INT__i_p_k_s = hrrwork + 485031;
178 double * const HRR_INT__i_p_l_s = hrrwork + 488055;
179 double * const HRR_INT__i_p_m_s = hrrwork + 491835;
180 double * const HRR_INT__i_d_h_s = hrrwork + 496455;
181 double * const HRR_INT__i_d_i_s = hrrwork + 499983;
182 double * const HRR_INT__i_d_k_s = hrrwork + 504687;
183 double * const HRR_INT__i_d_l_s = hrrwork + 510735;
184 double * const HRR_INT__i_d_m_s = hrrwork + 518295;
185 double * const HRR_INT__k_p_h_s = hrrwork + 527535;
186 double * const HRR_INT__k_p_i_s = hrrwork + 529803;
187 double * const HRR_INT__k_p_k_s = hrrwork + 532827;
188 double * const HRR_INT__k_p_l_s = hrrwork + 536715;
189 double * const HRR_INT__k_p_m_s = hrrwork + 541575;
190
191
192 // Create constants
193 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
194 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
195 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
196 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
197 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
198 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
199 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
200 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
201 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
202 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
203
204
205 ////////////////////////////////////////
206 // Loop over shells and primitives
207 ////////////////////////////////////////
208
209 real_abcd = 0;
210 istart = 0;
211 for(ab = 0; ab < P.nshell12_clip; ++ab)
212 {
213 const int iend = istart + P.nprim12[ab];
214
215 cd = 0;
216 jstart = 0;
217
218 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
219 {
220 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
221 int jend = jstart;
222 for(i = 0; i < nshellbatch; i++)
223 jend += Q.nprim12[cd+i];
224
225 // Clear the beginning of the workspace (where we are accumulating integrals)
226 memset(work, 0, SIMINT_NSHELL_SIMD * 26825 * sizeof(double));
227 abcd = 0;
228
229
230 for(i = istart; i < iend; ++i)
231 {
232 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
233
234 if(check_screen)
235 {
236 // Skip this whole thing if always insignificant
237 if((P.screen[i] * Q.screen_max) < screen_tol)
238 continue;
239 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
240 }
241
242 icd = 0;
243 iprimcd = 0;
244 nprim_icd = Q.nprim12[cd];
245 double * restrict PRIM_PTR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
246 double * restrict PRIM_PTR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
247 double * restrict PRIM_PTR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
248 double * restrict PRIM_PTR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
249 double * restrict PRIM_PTR_INT__g_s_m_s = INT__g_s_m_s + abcd * 825;
250 double * restrict PRIM_PTR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
251 double * restrict PRIM_PTR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
252 double * restrict PRIM_PTR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
253 double * restrict PRIM_PTR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
254 double * restrict PRIM_PTR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
255 double * restrict PRIM_PTR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
256 double * restrict PRIM_PTR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
257 double * restrict PRIM_PTR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
258 double * restrict PRIM_PTR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
259 double * restrict PRIM_PTR_INT__i_s_m_s = INT__i_s_m_s + abcd * 1540;
260 double * restrict PRIM_PTR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
261 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
262 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
263 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
264 double * restrict PRIM_PTR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
265 double * restrict PRIM_PTR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
266 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
267 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
268 double * restrict PRIM_PTR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
269 double * restrict PRIM_PTR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
270
271
272
273 // Load these one per loop over i
274 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
275 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
276 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
277
278 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
279
280 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
281 {
282 // calculate the shell offsets
283 // these are the offset from the shell pointed to by cd
284 // for each element
285 int shelloffsets[SIMINT_SIMD_LEN] = {0};
286 int lastoffset = 0;
287 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
288
289 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
290 {
291 // Handle if the first element of the vector is a new shell
292 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
293 {
294 nprim_icd += Q.nprim12[cd + (++icd)];
295 PRIM_PTR_INT__g_s_h_s += 315;
296 PRIM_PTR_INT__g_s_i_s += 420;
297 PRIM_PTR_INT__g_s_k_s += 540;
298 PRIM_PTR_INT__g_s_l_s += 675;
299 PRIM_PTR_INT__g_s_m_s += 825;
300 PRIM_PTR_INT__h_s_h_s += 441;
301 PRIM_PTR_INT__h_s_i_s += 588;
302 PRIM_PTR_INT__h_s_k_s += 756;
303 PRIM_PTR_INT__h_s_l_s += 945;
304 PRIM_PTR_INT__h_s_m_s += 1155;
305 PRIM_PTR_INT__i_s_h_s += 588;
306 PRIM_PTR_INT__i_s_i_s += 784;
307 PRIM_PTR_INT__i_s_k_s += 1008;
308 PRIM_PTR_INT__i_s_l_s += 1260;
309 PRIM_PTR_INT__i_s_m_s += 1540;
310 PRIM_PTR_INT__k_s_h_s += 756;
311 PRIM_PTR_INT__k_s_i_s += 1008;
312 PRIM_PTR_INT__k_s_k_s += 1296;
313 PRIM_PTR_INT__k_s_l_s += 1620;
314 PRIM_PTR_INT__k_s_m_s += 1980;
315 PRIM_PTR_INT__l_s_h_s += 945;
316 PRIM_PTR_INT__l_s_i_s += 1260;
317 PRIM_PTR_INT__l_s_k_s += 1620;
318 PRIM_PTR_INT__l_s_l_s += 2025;
319 PRIM_PTR_INT__l_s_m_s += 2475;
320 }
321 iprimcd++;
322 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
323 {
324 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
325 {
326 shelloffsets[n] = shelloffsets[n-1] + 1;
327 lastoffset++;
328 nprim_icd += Q.nprim12[cd + (++icd)];
329 }
330 else
331 shelloffsets[n] = shelloffsets[n-1];
332 iprimcd++;
333 }
334 }
335 else
336 iprimcd += SIMINT_SIMD_LEN;
337
338 // Do we have to compute this vector (or has it been screened out)?
339 // (not_screened != 0 means we have to do this vector)
340 if(check_screen)
341 {
342 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
343 if(vmax < screen_tol)
344 {
345 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
346 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
347 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
348 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
349 PRIM_PTR_INT__g_s_m_s += lastoffset*825;
350 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
351 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
352 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
353 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
354 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
355 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
356 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
357 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
358 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
359 PRIM_PTR_INT__i_s_m_s += lastoffset*1540;
360 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
361 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
362 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
363 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
364 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
365 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
366 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
367 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
368 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
369 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
370 continue;
371 }
372 }
373
374 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
375 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
376 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
377 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
378
379
380 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
381 SIMINT_DBLTYPE PQ[3];
382 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
383 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
384 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
385 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
386 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
387 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
388
389 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
390 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
391 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
392 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
393 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
394 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
395 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
396
397 // NOTE: Minus sign!
398 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
399 SIMINT_DBLTYPE aop_PQ[3];
400 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
401 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
402 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
403
404 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
405 SIMINT_DBLTYPE aoq_PQ[3];
406 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
407 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
408 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
409 // Put a minus sign here so we don't have to in RR routines
410 a_over_q = SIMINT_NEG(a_over_q);
411
412
413 //////////////////////////////////////////////
414 // Fjt function section
415 // Maximum v value: 17
416 //////////////////////////////////////////////
417 // The parameter to the Fjt function
418 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
419
420
421 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
422
423
424 boys_F_split(PRIM_INT__s_s_s_s, F_x, 17);
425 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
426 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
427 for(n = 0; n <= 17; n++)
428 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
429
430 //////////////////////////////////////////////
431 // Primitive integrals: Vertical recurrance
432 //////////////////////////////////////////////
433
434 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
435 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
436 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
437 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
438 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
439 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
440 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
441 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
442 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
443 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
444 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
445 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
446 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
447 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
448 const SIMINT_DBLTYPE vrr_const_8_over_2q = SIMINT_MUL(const_8, one_over_2q);
449 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
450 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
451 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
452 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
453 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
454 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
455 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
456 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
457 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
458
459
460
461 // Forming PRIM_INT__s_s_p_s[17 * 3];
462 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
463 {
464
465 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
466 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]);
467
468 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
469 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_p_s[n * 3 + 1]);
470
471 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
472 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_p_s[n * 3 + 2]);
473
474 }
475
476
477
478 // Forming PRIM_INT__s_s_d_s[16 * 6];
479 for(n = 0; n < 16; ++n) // loop over orders of auxiliary function
480 {
481
482 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
483 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_d_s[n * 6 + 0]);
484 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__s_s_d_s[n * 6 + 0]);
485
486 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
487 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_d_s[n * 6 + 1]);
488
489 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
490 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_d_s[n * 6 + 2]);
491
492 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
493 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_d_s[n * 6 + 3]);
494 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__s_s_d_s[n * 6 + 3]);
495
496 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
497 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_d_s[n * 6 + 4]);
498
499 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
500 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_d_s[n * 6 + 5]);
501 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__s_s_d_s[n * 6 + 5]);
502
503 }
504
505
506
507 // Forming PRIM_INT__s_s_f_s[15 * 10];
508 for(n = 0; n < 15; ++n) // loop over orders of auxiliary function
509 {
510
511 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
512 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 0]);
513 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__s_s_f_s[n * 10 + 0]);
514
515 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
516 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 1]);
517
518 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
519 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 2]);
520
521 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
522 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 3]);
523
524 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
525 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__s_s_f_s[n * 10 + 4]);
526
527 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
528 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 5]);
529
530 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
531 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 6]);
532 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__s_s_f_s[n * 10 + 6]);
533
534 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
535 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 7]);
536
537 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
538 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 8]);
539
540 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
541 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 9]);
542 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__s_s_f_s[n * 10 + 9]);
543
544 }
545
546
547 VRR_K_s_s_g_s(
548 PRIM_INT__s_s_g_s,
549 PRIM_INT__s_s_f_s,
550 PRIM_INT__s_s_d_s,
551 Q_PA,
552 a_over_q,
553 aoq_PQ,
554 one_over_2q,
555 14);
556
557
558 VRR_K_s_s_h_s(
559 PRIM_INT__s_s_h_s,
560 PRIM_INT__s_s_g_s,
561 PRIM_INT__s_s_f_s,
562 Q_PA,
563 a_over_q,
564 aoq_PQ,
565 one_over_2q,
566 13);
567
568
569 ostei_general_vrr_I(1, 0, 5, 0, 8,
570 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
571 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
572
573
574 VRR_I_p_s_g_s(
575 PRIM_INT__p_s_g_s,
576 PRIM_INT__s_s_g_s,
577 PRIM_INT__s_s_f_s,
578 P_PA,
579 aop_PQ,
580 one_over_2pq,
581 8);
582
583
584 ostei_general_vrr_I(2, 0, 5, 0, 7,
585 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
586 PRIM_INT__p_s_h_s, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_h_s);
587
588
589 VRR_I_p_s_f_s(
590 PRIM_INT__p_s_f_s,
591 PRIM_INT__s_s_f_s,
592 PRIM_INT__s_s_d_s,
593 P_PA,
594 aop_PQ,
595 one_over_2pq,
596 8);
597
598
599 ostei_general_vrr_I(2, 0, 4, 0, 7,
600 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
601 PRIM_INT__p_s_g_s, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_g_s);
602
603
604 ostei_general_vrr_I(3, 0, 5, 0, 6,
605 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
606 PRIM_INT__d_s_h_s, PRIM_INT__p_s_h_s, NULL, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_h_s);
607
608
609
610 // Forming PRIM_INT__p_s_d_s[8 * 18];
611 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
612 {
613
614 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
615 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
616 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
617
618 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
619 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
620 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
621
622 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
623 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
624 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
625
626 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
627 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 3]);
628
629 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
630 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 4]);
631
632 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
633 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 5]);
634
635 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
636 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 6]);
637
638 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
639 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 7]);
640 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 7]);
641
642 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
643 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 8]);
644
645 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
646 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 9]);
647 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 9]);
648
649 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
650 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 10]);
651 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 10]);
652
653 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
654 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
655
656 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
657 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 12]);
658
659 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
660 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 13]);
661
662 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
663 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 14]);
664 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 14]);
665
666 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
667 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 15]);
668
669 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
670 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 16]);
671 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 16]);
672
673 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
674 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 17]);
675 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 17]);
676
677 }
678
679
680 VRR_I_d_s_f_s(
681 PRIM_INT__d_s_f_s,
682 PRIM_INT__p_s_f_s,
683 PRIM_INT__s_s_f_s,
684 PRIM_INT__p_s_d_s,
685 P_PA,
686 a_over_p,
687 aop_PQ,
688 one_over_2p,
689 one_over_2pq,
690 7);
691
692
693 ostei_general_vrr_I(3, 0, 4, 0, 6,
694 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
695 PRIM_INT__d_s_g_s, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
696
697
698 ostei_general_vrr_I(4, 0, 5, 0, 5,
699 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
700 PRIM_INT__f_s_h_s, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
701
702
703 ostei_general_vrr1_K(6, 12,
704 one_over_2q, a_over_q, aoq_PQ, Q_PA,
705 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
706
707
708 ostei_general_vrr_I(1, 0, 6, 0, 8,
709 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
710 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
711
712
713 ostei_general_vrr_I(2, 0, 6, 0, 7,
714 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
715 PRIM_INT__p_s_i_s, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_h_s, NULL, PRIM_INT__d_s_i_s);
716
717
718 ostei_general_vrr_I(3, 0, 6, 0, 6,
719 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
720 PRIM_INT__d_s_i_s, PRIM_INT__p_s_i_s, NULL, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_i_s);
721
722
723 ostei_general_vrr_I(4, 0, 6, 0, 5,
724 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
725 PRIM_INT__f_s_i_s, PRIM_INT__d_s_i_s, NULL, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_i_s);
726
727
728
729 // Forming PRIM_INT__p_s_p_s[8 * 9];
730 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
731 {
732
733 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
734 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
735 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
736
737 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
738 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 1]);
739
740 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
741 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 2]);
742
743 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
744 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 3]);
745
746 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
747 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
748 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_p_s[n * 9 + 4]);
749
750 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
751 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 5]);
752
753 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
754 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 6]);
755
756 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
757 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 7]);
758
759 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
760 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
761 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_p_s[n * 9 + 8]);
762
763 }
764
765
766 VRR_I_d_s_d_s(
767 PRIM_INT__d_s_d_s,
768 PRIM_INT__p_s_d_s,
769 PRIM_INT__s_s_d_s,
770 PRIM_INT__p_s_p_s,
771 P_PA,
772 a_over_p,
773 aop_PQ,
774 one_over_2p,
775 one_over_2pq,
776 7);
777
778
779 ostei_general_vrr_I(3, 0, 3, 0, 6,
780 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
781 PRIM_INT__d_s_f_s, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
782
783
784 ostei_general_vrr_I(4, 0, 4, 0, 5,
785 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
786 PRIM_INT__f_s_g_s, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
787
788
789 ostei_general_vrr_I(5, 0, 5, 0, 4,
790 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
791 PRIM_INT__g_s_h_s, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
792
793
794 ostei_general_vrr1_K(7, 11,
795 one_over_2q, a_over_q, aoq_PQ, Q_PA,
796 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
797
798
799 ostei_general_vrr_I(1, 0, 7, 0, 8,
800 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
801 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
802
803
804 ostei_general_vrr_I(2, 0, 7, 0, 7,
805 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
806 PRIM_INT__p_s_k_s, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_i_s, NULL, PRIM_INT__d_s_k_s);
807
808
809 ostei_general_vrr_I(3, 0, 7, 0, 6,
810 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
811 PRIM_INT__d_s_k_s, PRIM_INT__p_s_k_s, NULL, PRIM_INT__d_s_i_s, NULL, PRIM_INT__f_s_k_s);
812
813
814 ostei_general_vrr_I(4, 0, 7, 0, 5,
815 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
816 PRIM_INT__f_s_k_s, PRIM_INT__d_s_k_s, NULL, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_k_s);
817
818
819 ostei_general_vrr_I(5, 0, 6, 0, 4,
820 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
821 PRIM_INT__g_s_i_s, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_i_s);
822
823
824
825 // Forming PRIM_INT__p_s_s_s[8 * 3];
826 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
827 {
828
829 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
830 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]);
831
832 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
833 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_s_s[n * 3 + 1]);
834
835 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
836 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__p_s_s_s[n * 3 + 2]);
837
838 }
839
840
841
842 // Forming PRIM_INT__d_s_p_s[7 * 18];
843 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
844 {
845
846 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
847 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
848 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 0]);
849 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
850
851 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 1]);
852 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__d_s_p_s[n * 18 + 1]);
853 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 1]);
854
855 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 2]);
856 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__d_s_p_s[n * 18 + 2]);
857 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 2]);
858
859 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
860 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__d_s_p_s[n * 18 + 9]);
861 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 9]);
862
863 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
864 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__d_s_p_s[n * 18 + 10]);
865 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 10]);
866 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 10]);
867
868 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 5]);
869 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__d_s_p_s[n * 18 + 11]);
870 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 11]);
871
872 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 6]);
873 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__d_s_p_s[n * 18 + 15]);
874 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 15]);
875
876 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 7]);
877 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__d_s_p_s[n * 18 + 16]);
878 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 16]);
879
880 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
881 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__d_s_p_s[n * 18 + 17]);
882 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 17]);
883 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 17]);
884
885 }
886
887
888 VRR_I_f_s_d_s(
889 PRIM_INT__f_s_d_s,
890 PRIM_INT__d_s_d_s,
891 PRIM_INT__p_s_d_s,
892 PRIM_INT__d_s_p_s,
893 P_PA,
894 a_over_p,
895 aop_PQ,
896 one_over_2p,
897 one_over_2pq,
898 6);
899
900
901 ostei_general_vrr_I(4, 0, 3, 0, 5,
902 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
903 PRIM_INT__f_s_f_s, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_f_s);
904
905
906 ostei_general_vrr_I(5, 0, 4, 0, 4,
907 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
908 PRIM_INT__g_s_g_s, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
909
910
911 ostei_general_vrr_I(6, 0, 5, 0, 3,
912 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
913 PRIM_INT__h_s_h_s, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_g_s, NULL, PRIM_INT__i_s_h_s);
914
915
916 ostei_general_vrr1_K(8, 10,
917 one_over_2q, a_over_q, aoq_PQ, Q_PA,
918 PRIM_INT__s_s_k_s, PRIM_INT__s_s_i_s, PRIM_INT__s_s_l_s);
919
920
921 ostei_general_vrr_I(1, 0, 8, 0, 8,
922 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
923 PRIM_INT__s_s_l_s, NULL, NULL, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_l_s);
924
925
926 ostei_general_vrr_I(2, 0, 8, 0, 7,
927 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
928 PRIM_INT__p_s_l_s, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_k_s, NULL, PRIM_INT__d_s_l_s);
929
930
931 ostei_general_vrr_I(3, 0, 8, 0, 6,
932 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
933 PRIM_INT__d_s_l_s, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_k_s, NULL, PRIM_INT__f_s_l_s);
934
935
936 ostei_general_vrr_I(4, 0, 8, 0, 5,
937 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
938 PRIM_INT__f_s_l_s, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_k_s, NULL, PRIM_INT__g_s_l_s);
939
940
941 ostei_general_vrr_I(5, 0, 7, 0, 4,
942 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
943 PRIM_INT__g_s_k_s, PRIM_INT__f_s_k_s, NULL, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_k_s);
944
945
946 ostei_general_vrr_I(6, 0, 6, 0, 3,
947 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
948 PRIM_INT__h_s_i_s, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_i_s);
949
950
951
952 // Forming PRIM_INT__d_s_s_s[7 * 6];
953 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
954 {
955
956 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
957 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 0]);
958 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 0]);
959
960 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
961 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_s_s[n * 6 + 3]);
962 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 3]);
963
964 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
965 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_s_s[n * 6 + 5]);
966 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 5]);
967
968 }
969
970
971 VRR_I_f_s_p_s(
972 PRIM_INT__f_s_p_s,
973 PRIM_INT__d_s_p_s,
974 PRIM_INT__p_s_p_s,
975 PRIM_INT__d_s_s_s,
976 P_PA,
977 a_over_p,
978 aop_PQ,
979 one_over_2p,
980 one_over_2pq,
981 6);
982
983
984 ostei_general_vrr_I(4, 0, 2, 0, 5,
985 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
986 PRIM_INT__f_s_d_s, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_p_s, NULL, PRIM_INT__g_s_d_s);
987
988
989 ostei_general_vrr_I(5, 0, 3, 0, 4,
990 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
991 PRIM_INT__g_s_f_s, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_d_s, NULL, PRIM_INT__h_s_f_s);
992
993
994 ostei_general_vrr_I(6, 0, 4, 0, 3,
995 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
996 PRIM_INT__h_s_g_s, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_f_s, NULL, PRIM_INT__i_s_g_s);
997
998
999 ostei_general_vrr_I(7, 0, 5, 0, 2,
1000 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1001 PRIM_INT__i_s_h_s, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_g_s, NULL, PRIM_INT__k_s_h_s);
1002
1003
1004 ostei_general_vrr1_K(9, 9,
1005 one_over_2q, a_over_q, aoq_PQ, Q_PA,
1006 PRIM_INT__s_s_l_s, PRIM_INT__s_s_k_s, PRIM_INT__s_s_m_s);
1007
1008
1009 ostei_general_vrr_I(1, 0, 9, 0, 8,
1010 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1011 PRIM_INT__s_s_m_s, NULL, NULL, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_m_s);
1012
1013
1014 ostei_general_vrr_I(2, 0, 9, 0, 7,
1015 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1016 PRIM_INT__p_s_m_s, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_m_s);
1017
1018
1019 ostei_general_vrr_I(3, 0, 9, 0, 6,
1020 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1021 PRIM_INT__d_s_m_s, PRIM_INT__p_s_m_s, NULL, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_m_s);
1022
1023
1024 ostei_general_vrr_I(4, 0, 9, 0, 5,
1025 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1026 PRIM_INT__f_s_m_s, PRIM_INT__d_s_m_s, NULL, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_m_s);
1027
1028
1029 ostei_general_vrr_I(5, 0, 8, 0, 4,
1030 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1031 PRIM_INT__g_s_l_s, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_l_s);
1032
1033
1034 ostei_general_vrr_I(6, 0, 7, 0, 3,
1035 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1036 PRIM_INT__h_s_k_s, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_k_s);
1037
1038
1039 ostei_general_vrr_I(7, 0, 6, 0, 2,
1040 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1041 PRIM_INT__i_s_i_s, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_h_s, NULL, PRIM_INT__k_s_i_s);
1042
1043
1044
1045 // Forming PRIM_INT__f_s_s_s[6 * 10];
1046 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
1047 {
1048
1049 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
1050 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 0]);
1051 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__f_s_s_s[n * 10 + 0]);
1052
1053 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
1054 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 6]);
1055 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__f_s_s_s[n * 10 + 6]);
1056
1057 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
1058 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 9]);
1059 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__f_s_s_s[n * 10 + 9]);
1060
1061 }
1062
1063
1064 VRR_I_g_s_p_s(
1065 PRIM_INT__g_s_p_s,
1066 PRIM_INT__f_s_p_s,
1067 PRIM_INT__d_s_p_s,
1068 PRIM_INT__f_s_s_s,
1069 P_PA,
1070 a_over_p,
1071 aop_PQ,
1072 one_over_2p,
1073 one_over_2pq,
1074 5);
1075
1076
1077 ostei_general_vrr_I(5, 0, 2, 0, 4,
1078 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1079 PRIM_INT__g_s_d_s, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_p_s, NULL, PRIM_INT__h_s_d_s);
1080
1081
1082 ostei_general_vrr_I(6, 0, 3, 0, 3,
1083 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1084 PRIM_INT__h_s_f_s, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_d_s, NULL, PRIM_INT__i_s_f_s);
1085
1086
1087 ostei_general_vrr_I(7, 0, 4, 0, 2,
1088 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1089 PRIM_INT__i_s_g_s, PRIM_INT__h_s_g_s, NULL, PRIM_INT__i_s_f_s, NULL, PRIM_INT__k_s_g_s);
1090
1091
1092 ostei_general_vrr_I(8, 0, 5, 0, 1,
1093 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1094 PRIM_INT__k_s_h_s, PRIM_INT__i_s_h_s, NULL, PRIM_INT__k_s_g_s, NULL, PRIM_INT__l_s_h_s);
1095
1096
1097 ostei_general_vrr_I(5, 0, 9, 0, 4,
1098 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1099 PRIM_INT__g_s_m_s, PRIM_INT__f_s_m_s, NULL, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_m_s);
1100
1101
1102 ostei_general_vrr_I(6, 0, 8, 0, 3,
1103 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1104 PRIM_INT__h_s_l_s, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_l_s);
1105
1106
1107 ostei_general_vrr_I(7, 0, 7, 0, 2,
1108 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1109 PRIM_INT__i_s_k_s, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_k_s);
1110
1111
1112 ostei_general_vrr_I(8, 0, 6, 0, 1,
1113 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1114 PRIM_INT__k_s_i_s, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_h_s, NULL, PRIM_INT__l_s_i_s);
1115
1116
1117 ostei_general_vrr_I(6, 0, 9, 0, 3,
1118 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1119 PRIM_INT__h_s_m_s, PRIM_INT__g_s_m_s, NULL, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_m_s);
1120
1121
1122 ostei_general_vrr_I(7, 0, 8, 0, 2,
1123 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1124 PRIM_INT__i_s_l_s, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_l_s);
1125
1126
1127 ostei_general_vrr_I(8, 0, 7, 0, 1,
1128 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1129 PRIM_INT__k_s_k_s, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_i_s, NULL, PRIM_INT__l_s_k_s);
1130
1131
1132 ostei_general_vrr_I(7, 0, 9, 0, 2,
1133 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1134 PRIM_INT__i_s_m_s, PRIM_INT__h_s_m_s, NULL, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_m_s);
1135
1136
1137 ostei_general_vrr_I(8, 0, 8, 0, 1,
1138 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1139 PRIM_INT__k_s_l_s, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_k_s, NULL, PRIM_INT__l_s_l_s);
1140
1141
1142 ostei_general_vrr_I(8, 0, 9, 0, 1,
1143 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1144 PRIM_INT__k_s_m_s, PRIM_INT__i_s_m_s, NULL, PRIM_INT__k_s_l_s, NULL, PRIM_INT__l_s_m_s);
1145
1146
1147
1148
1149 ////////////////////////////////////
1150 // Accumulate contracted integrals
1151 ////////////////////////////////////
1152 if(lastoffset == 0)
1153 {
1154 contract_all(315, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
1155 contract_all(420, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
1156 contract_all(540, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
1157 contract_all(675, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
1158 contract_all(825, PRIM_INT__g_s_m_s, PRIM_PTR_INT__g_s_m_s);
1159 contract_all(441, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
1160 contract_all(588, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
1161 contract_all(756, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
1162 contract_all(945, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
1163 contract_all(1155, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
1164 contract_all(588, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
1165 contract_all(784, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
1166 contract_all(1008, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1167 contract_all(1260, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
1168 contract_all(1540, PRIM_INT__i_s_m_s, PRIM_PTR_INT__i_s_m_s);
1169 contract_all(756, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1170 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1171 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1172 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1173 contract_all(1980, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1174 contract_all(945, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1175 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1176 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1177 contract_all(2025, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1178 contract_all(2475, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1179 }
1180 else
1181 {
1182 contract(315, shelloffsets, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
1183 contract(420, shelloffsets, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
1184 contract(540, shelloffsets, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
1185 contract(675, shelloffsets, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
1186 contract(825, shelloffsets, PRIM_INT__g_s_m_s, PRIM_PTR_INT__g_s_m_s);
1187 contract(441, shelloffsets, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
1188 contract(588, shelloffsets, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
1189 contract(756, shelloffsets, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
1190 contract(945, shelloffsets, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
1191 contract(1155, shelloffsets, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
1192 contract(588, shelloffsets, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
1193 contract(784, shelloffsets, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
1194 contract(1008, shelloffsets, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1195 contract(1260, shelloffsets, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
1196 contract(1540, shelloffsets, PRIM_INT__i_s_m_s, PRIM_PTR_INT__i_s_m_s);
1197 contract(756, shelloffsets, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1198 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1199 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1200 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1201 contract(1980, shelloffsets, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1202 contract(945, shelloffsets, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1203 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1204 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1205 contract(2025, shelloffsets, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1206 contract(2475, shelloffsets, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1207 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
1208 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
1209 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
1210 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
1211 PRIM_PTR_INT__g_s_m_s += lastoffset*825;
1212 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
1213 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
1214 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
1215 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
1216 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
1217 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
1218 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
1219 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
1220 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
1221 PRIM_PTR_INT__i_s_m_s += lastoffset*1540;
1222 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
1223 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
1224 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1225 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
1226 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
1227 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
1228 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
1229 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1230 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
1231 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
1232 }
1233
1234 } // close loop over j
1235 } // close loop over i
1236
1237 //Advance to the next batch
1238 jstart = SIMINT_SIMD_ROUND(jend);
1239
1240 //////////////////////////////////////////////
1241 // Contracted integrals: Horizontal recurrance
1242 //////////////////////////////////////////////
1243
1244
1245 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1246
1247
1248 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1249 {
1250 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1251
1252 // set up HRR pointers
1253 double const * restrict HRR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
1254 double const * restrict HRR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
1255 double const * restrict HRR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
1256 double const * restrict HRR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
1257 double const * restrict HRR_INT__g_s_m_s = INT__g_s_m_s + abcd * 825;
1258 double const * restrict HRR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
1259 double const * restrict HRR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
1260 double const * restrict HRR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
1261 double const * restrict HRR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
1262 double const * restrict HRR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
1263 double const * restrict HRR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
1264 double const * restrict HRR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
1265 double const * restrict HRR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
1266 double const * restrict HRR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
1267 double const * restrict HRR_INT__i_s_m_s = INT__i_s_m_s + abcd * 1540;
1268 double const * restrict HRR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
1269 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
1270 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1271 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
1272 double const * restrict HRR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
1273 double const * restrict HRR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
1274 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
1275 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1276 double const * restrict HRR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
1277 double const * restrict HRR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
1278 double * restrict HRR_INT__g_g_h_g = INT__g_g_h_g + real_abcd * 70875;
1279
1280 // form INT__g_p_h_s
1281 HRR_J_g_p(
1282 HRR_INT__g_p_h_s,
1283 HRR_INT__g_s_h_s,
1284 HRR_INT__h_s_h_s,
1285 hAB, 21);
1286
1287 // form INT__g_p_i_s
1288 HRR_J_g_p(
1289 HRR_INT__g_p_i_s,
1290 HRR_INT__g_s_i_s,
1291 HRR_INT__h_s_i_s,
1292 hAB, 28);
1293
1294 // form INT__g_p_k_s
1295 HRR_J_g_p(
1296 HRR_INT__g_p_k_s,
1297 HRR_INT__g_s_k_s,
1298 HRR_INT__h_s_k_s,
1299 hAB, 36);
1300
1301 // form INT__g_p_l_s
1302 HRR_J_g_p(
1303 HRR_INT__g_p_l_s,
1304 HRR_INT__g_s_l_s,
1305 HRR_INT__h_s_l_s,
1306 hAB, 45);
1307
1308 // form INT__g_p_m_s
1309 HRR_J_g_p(
1310 HRR_INT__g_p_m_s,
1311 HRR_INT__g_s_m_s,
1312 HRR_INT__h_s_m_s,
1313 hAB, 55);
1314
1315 // form INT__h_p_h_s
1316 ostei_general_hrr_J(5, 1, 5, 0, hAB, HRR_INT__i_s_h_s, HRR_INT__h_s_h_s, HRR_INT__h_p_h_s);
1317
1318 // form INT__h_p_i_s
1319 ostei_general_hrr_J(5, 1, 6, 0, hAB, HRR_INT__i_s_i_s, HRR_INT__h_s_i_s, HRR_INT__h_p_i_s);
1320
1321 // form INT__h_p_k_s
1322 ostei_general_hrr_J(5, 1, 7, 0, hAB, HRR_INT__i_s_k_s, HRR_INT__h_s_k_s, HRR_INT__h_p_k_s);
1323
1324 // form INT__h_p_l_s
1325 ostei_general_hrr_J(5, 1, 8, 0, hAB, HRR_INT__i_s_l_s, HRR_INT__h_s_l_s, HRR_INT__h_p_l_s);
1326
1327 // form INT__h_p_m_s
1328 ostei_general_hrr_J(5, 1, 9, 0, hAB, HRR_INT__i_s_m_s, HRR_INT__h_s_m_s, HRR_INT__h_p_m_s);
1329
1330 // form INT__i_p_h_s
1331 ostei_general_hrr_J(6, 1, 5, 0, hAB, HRR_INT__k_s_h_s, HRR_INT__i_s_h_s, HRR_INT__i_p_h_s);
1332
1333 // form INT__i_p_i_s
1334 ostei_general_hrr_J(6, 1, 6, 0, hAB, HRR_INT__k_s_i_s, HRR_INT__i_s_i_s, HRR_INT__i_p_i_s);
1335
1336 // form INT__i_p_k_s
1337 ostei_general_hrr_J(6, 1, 7, 0, hAB, HRR_INT__k_s_k_s, HRR_INT__i_s_k_s, HRR_INT__i_p_k_s);
1338
1339 // form INT__i_p_l_s
1340 ostei_general_hrr_J(6, 1, 8, 0, hAB, HRR_INT__k_s_l_s, HRR_INT__i_s_l_s, HRR_INT__i_p_l_s);
1341
1342 // form INT__i_p_m_s
1343 ostei_general_hrr_J(6, 1, 9, 0, hAB, HRR_INT__k_s_m_s, HRR_INT__i_s_m_s, HRR_INT__i_p_m_s);
1344
1345 // form INT__k_p_h_s
1346 ostei_general_hrr_J(7, 1, 5, 0, hAB, HRR_INT__l_s_h_s, HRR_INT__k_s_h_s, HRR_INT__k_p_h_s);
1347
1348 // form INT__k_p_i_s
1349 ostei_general_hrr_J(7, 1, 6, 0, hAB, HRR_INT__l_s_i_s, HRR_INT__k_s_i_s, HRR_INT__k_p_i_s);
1350
1351 // form INT__k_p_k_s
1352 ostei_general_hrr_J(7, 1, 7, 0, hAB, HRR_INT__l_s_k_s, HRR_INT__k_s_k_s, HRR_INT__k_p_k_s);
1353
1354 // form INT__k_p_l_s
1355 ostei_general_hrr_J(7, 1, 8, 0, hAB, HRR_INT__l_s_l_s, HRR_INT__k_s_l_s, HRR_INT__k_p_l_s);
1356
1357 // form INT__k_p_m_s
1358 ostei_general_hrr_J(7, 1, 9, 0, hAB, HRR_INT__l_s_m_s, HRR_INT__k_s_m_s, HRR_INT__k_p_m_s);
1359
1360 // form INT__g_d_h_s
1361 ostei_general_hrr_J(4, 2, 5, 0, hAB, HRR_INT__h_p_h_s, HRR_INT__g_p_h_s, HRR_INT__g_d_h_s);
1362
1363 // form INT__g_d_i_s
1364 ostei_general_hrr_J(4, 2, 6, 0, hAB, HRR_INT__h_p_i_s, HRR_INT__g_p_i_s, HRR_INT__g_d_i_s);
1365
1366 // form INT__g_d_k_s
1367 ostei_general_hrr_J(4, 2, 7, 0, hAB, HRR_INT__h_p_k_s, HRR_INT__g_p_k_s, HRR_INT__g_d_k_s);
1368
1369 // form INT__g_d_l_s
1370 ostei_general_hrr_J(4, 2, 8, 0, hAB, HRR_INT__h_p_l_s, HRR_INT__g_p_l_s, HRR_INT__g_d_l_s);
1371
1372 // form INT__g_d_m_s
1373 ostei_general_hrr_J(4, 2, 9, 0, hAB, HRR_INT__h_p_m_s, HRR_INT__g_p_m_s, HRR_INT__g_d_m_s);
1374
1375 // form INT__h_d_h_s
1376 ostei_general_hrr_J(5, 2, 5, 0, hAB, HRR_INT__i_p_h_s, HRR_INT__h_p_h_s, HRR_INT__h_d_h_s);
1377
1378 // form INT__h_d_i_s
1379 ostei_general_hrr_J(5, 2, 6, 0, hAB, HRR_INT__i_p_i_s, HRR_INT__h_p_i_s, HRR_INT__h_d_i_s);
1380
1381 // form INT__h_d_k_s
1382 ostei_general_hrr_J(5, 2, 7, 0, hAB, HRR_INT__i_p_k_s, HRR_INT__h_p_k_s, HRR_INT__h_d_k_s);
1383
1384 // form INT__h_d_l_s
1385 ostei_general_hrr_J(5, 2, 8, 0, hAB, HRR_INT__i_p_l_s, HRR_INT__h_p_l_s, HRR_INT__h_d_l_s);
1386
1387 // form INT__h_d_m_s
1388 ostei_general_hrr_J(5, 2, 9, 0, hAB, HRR_INT__i_p_m_s, HRR_INT__h_p_m_s, HRR_INT__h_d_m_s);
1389
1390 // form INT__i_d_h_s
1391 ostei_general_hrr_J(6, 2, 5, 0, hAB, HRR_INT__k_p_h_s, HRR_INT__i_p_h_s, HRR_INT__i_d_h_s);
1392
1393 // form INT__i_d_i_s
1394 ostei_general_hrr_J(6, 2, 6, 0, hAB, HRR_INT__k_p_i_s, HRR_INT__i_p_i_s, HRR_INT__i_d_i_s);
1395
1396 // form INT__i_d_k_s
1397 ostei_general_hrr_J(6, 2, 7, 0, hAB, HRR_INT__k_p_k_s, HRR_INT__i_p_k_s, HRR_INT__i_d_k_s);
1398
1399 // form INT__i_d_l_s
1400 ostei_general_hrr_J(6, 2, 8, 0, hAB, HRR_INT__k_p_l_s, HRR_INT__i_p_l_s, HRR_INT__i_d_l_s);
1401
1402 // form INT__i_d_m_s
1403 ostei_general_hrr_J(6, 2, 9, 0, hAB, HRR_INT__k_p_m_s, HRR_INT__i_p_m_s, HRR_INT__i_d_m_s);
1404
1405 // form INT__g_f_h_s
1406 ostei_general_hrr_J(4, 3, 5, 0, hAB, HRR_INT__h_d_h_s, HRR_INT__g_d_h_s, HRR_INT__g_f_h_s);
1407
1408 // form INT__g_f_i_s
1409 ostei_general_hrr_J(4, 3, 6, 0, hAB, HRR_INT__h_d_i_s, HRR_INT__g_d_i_s, HRR_INT__g_f_i_s);
1410
1411 // form INT__g_f_k_s
1412 ostei_general_hrr_J(4, 3, 7, 0, hAB, HRR_INT__h_d_k_s, HRR_INT__g_d_k_s, HRR_INT__g_f_k_s);
1413
1414 // form INT__g_f_l_s
1415 ostei_general_hrr_J(4, 3, 8, 0, hAB, HRR_INT__h_d_l_s, HRR_INT__g_d_l_s, HRR_INT__g_f_l_s);
1416
1417 // form INT__g_f_m_s
1418 ostei_general_hrr_J(4, 3, 9, 0, hAB, HRR_INT__h_d_m_s, HRR_INT__g_d_m_s, HRR_INT__g_f_m_s);
1419
1420 // form INT__h_f_h_s
1421 ostei_general_hrr_J(5, 3, 5, 0, hAB, HRR_INT__i_d_h_s, HRR_INT__h_d_h_s, HRR_INT__h_f_h_s);
1422
1423 // form INT__h_f_i_s
1424 ostei_general_hrr_J(5, 3, 6, 0, hAB, HRR_INT__i_d_i_s, HRR_INT__h_d_i_s, HRR_INT__h_f_i_s);
1425
1426 // form INT__h_f_k_s
1427 ostei_general_hrr_J(5, 3, 7, 0, hAB, HRR_INT__i_d_k_s, HRR_INT__h_d_k_s, HRR_INT__h_f_k_s);
1428
1429 // form INT__h_f_l_s
1430 ostei_general_hrr_J(5, 3, 8, 0, hAB, HRR_INT__i_d_l_s, HRR_INT__h_d_l_s, HRR_INT__h_f_l_s);
1431
1432 // form INT__h_f_m_s
1433 ostei_general_hrr_J(5, 3, 9, 0, hAB, HRR_INT__i_d_m_s, HRR_INT__h_d_m_s, HRR_INT__h_f_m_s);
1434
1435 // form INT__g_g_h_s
1436 ostei_general_hrr_J(4, 4, 5, 0, hAB, HRR_INT__h_f_h_s, HRR_INT__g_f_h_s, HRR_INT__g_g_h_s);
1437
1438 // form INT__g_g_i_s
1439 ostei_general_hrr_J(4, 4, 6, 0, hAB, HRR_INT__h_f_i_s, HRR_INT__g_f_i_s, HRR_INT__g_g_i_s);
1440
1441 // form INT__g_g_k_s
1442 ostei_general_hrr_J(4, 4, 7, 0, hAB, HRR_INT__h_f_k_s, HRR_INT__g_f_k_s, HRR_INT__g_g_k_s);
1443
1444 // form INT__g_g_l_s
1445 ostei_general_hrr_J(4, 4, 8, 0, hAB, HRR_INT__h_f_l_s, HRR_INT__g_f_l_s, HRR_INT__g_g_l_s);
1446
1447 // form INT__g_g_m_s
1448 ostei_general_hrr_J(4, 4, 9, 0, hAB, HRR_INT__h_f_m_s, HRR_INT__g_f_m_s, HRR_INT__g_g_m_s);
1449
1450 // form INT__g_g_h_p
1451 ostei_general_hrr_L(4, 4, 5, 1, hCD, HRR_INT__g_g_i_s, HRR_INT__g_g_h_s, HRR_INT__g_g_h_p);
1452
1453 // form INT__g_g_i_p
1454 ostei_general_hrr_L(4, 4, 6, 1, hCD, HRR_INT__g_g_k_s, HRR_INT__g_g_i_s, HRR_INT__g_g_i_p);
1455
1456 // form INT__g_g_k_p
1457 ostei_general_hrr_L(4, 4, 7, 1, hCD, HRR_INT__g_g_l_s, HRR_INT__g_g_k_s, HRR_INT__g_g_k_p);
1458
1459 // form INT__g_g_l_p
1460 ostei_general_hrr_L(4, 4, 8, 1, hCD, HRR_INT__g_g_m_s, HRR_INT__g_g_l_s, HRR_INT__g_g_l_p);
1461
1462 // form INT__g_g_h_d
1463 ostei_general_hrr_L(4, 4, 5, 2, hCD, HRR_INT__g_g_i_p, HRR_INT__g_g_h_p, HRR_INT__g_g_h_d);
1464
1465 // form INT__g_g_i_d
1466 ostei_general_hrr_L(4, 4, 6, 2, hCD, HRR_INT__g_g_k_p, HRR_INT__g_g_i_p, HRR_INT__g_g_i_d);
1467
1468 // form INT__g_g_k_d
1469 ostei_general_hrr_L(4, 4, 7, 2, hCD, HRR_INT__g_g_l_p, HRR_INT__g_g_k_p, HRR_INT__g_g_k_d);
1470
1471 // form INT__g_g_h_f
1472 ostei_general_hrr_L(4, 4, 5, 3, hCD, HRR_INT__g_g_i_d, HRR_INT__g_g_h_d, HRR_INT__g_g_h_f);
1473
1474 // form INT__g_g_i_f
1475 ostei_general_hrr_L(4, 4, 6, 3, hCD, HRR_INT__g_g_k_d, HRR_INT__g_g_i_d, HRR_INT__g_g_i_f);
1476
1477 // form INT__g_g_h_g
1478 ostei_general_hrr_L(4, 4, 5, 4, hCD, HRR_INT__g_g_i_f, HRR_INT__g_g_h_f, HRR_INT__g_g_h_g);
1479
1480
1481 } // close HRR loop
1482
1483
1484 } // close loop cdbatch
1485
1486 istart = iend;
1487 } // close loop over ab
1488
1489 return P.nshell12_clip * Q.nshell12_clip;
1490 }
1491
ostei_g_g_g_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_g_g_h)1492 int ostei_g_g_g_h(struct simint_multi_shellpair const P,
1493 struct simint_multi_shellpair const Q,
1494 double screen_tol,
1495 double * const restrict work,
1496 double * const restrict INT__g_g_g_h)
1497 {
1498 double Q_AB[3*Q.nshell12];
1499 struct simint_multi_shellpair Q_tmp = Q;
1500 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1501 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1502 Q_tmp.AB_x = Q_AB;
1503 Q_tmp.AB_y = Q_AB + Q.nshell12;
1504 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1505
1506 for(int i = 0; i < Q.nshell12; i++)
1507 {
1508 Q_tmp.AB_x[i] = -Q.AB_x[i];
1509 Q_tmp.AB_y[i] = -Q.AB_y[i];
1510 Q_tmp.AB_z[i] = -Q.AB_z[i];
1511 }
1512
1513 int ret = ostei_g_g_h_g(P, Q_tmp, screen_tol, work, INT__g_g_g_h);
1514 double buffer[70875] SIMINT_ALIGN_ARRAY_DBL;
1515
1516 for(int q = 0; q < ret; q++)
1517 {
1518 int idx = 0;
1519 for(int a = 0; a < 15; ++a)
1520 for(int b = 0; b < 15; ++b)
1521 for(int c = 0; c < 15; ++c)
1522 for(int d = 0; d < 21; ++d)
1523 buffer[idx++] = INT__g_g_g_h[q*70875+a*4725+b*315+d*15+c];
1524
1525 memcpy(INT__g_g_g_h+q*70875, buffer, 70875*sizeof(double));
1526 }
1527
1528 return ret;
1529 }
1530
1531