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_i_h_k_p(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__i_h_k_p)8 int ostei_i_h_k_p(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__i_h_k_p)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__i_h_k_p);
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__i_s_k_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__i_s_l_s = work + (SIMINT_NSHELL_SIMD * 1008);
31 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 2268);
32 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 3564);
33 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 5184);
34 double * const INT__l_s_l_s = work + (SIMINT_NSHELL_SIMD * 6804);
35 double * const INT__m_s_k_s = work + (SIMINT_NSHELL_SIMD * 8829);
36 double * const INT__m_s_l_s = work + (SIMINT_NSHELL_SIMD * 10809);
37 double * const INT__n_s_k_s = work + (SIMINT_NSHELL_SIMD * 13284);
38 double * const INT__n_s_l_s = work + (SIMINT_NSHELL_SIMD * 15660);
39 double * const INT__o_s_k_s = work + (SIMINT_NSHELL_SIMD * 18630);
40 double * const INT__o_s_l_s = work + (SIMINT_NSHELL_SIMD * 21438);
41 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*24948);
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 20;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 44;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 86;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 143;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 215;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 341;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 521;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 629;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 773;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 1025;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 1385;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 1835;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 2005;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 2245;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 2665;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 3265;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 4015;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 4855;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 5095;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 5455;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 6085;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 6985;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 8110;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 9370;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 10630;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 10945;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 11449;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 12331;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 13591;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 15166;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 16930;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 18694;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 20206;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 20598;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 21270;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 22446;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 24126;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 26226;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 28578;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 30930;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_l_s = primwork + 32946;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_s_s = primwork + 34206;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_p_s = primwork + 34674;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_d_s = primwork + 35538;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_f_s = primwork + 37050;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 39210;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 41910;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 44934;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 47958;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 50550;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_s_s = primwork + 52170;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_p_s = primwork + 52710;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_d_s = primwork + 53790;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_f_s = primwork + 55680;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_g_s = primwork + 58380;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 61755;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 65535;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 69315;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_l_s = primwork + 72555;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_s_s = primwork + 74580;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_p_s = primwork + 75185;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_d_s = primwork + 76505;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_f_s = primwork + 78815;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_g_s = primwork + 82115;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_h_s = primwork + 86240;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_i_s = primwork + 90860;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_k_s = primwork + 95480;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_l_s = primwork + 99440;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_s_s = primwork + 101915;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_p_s = primwork + 102575;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_d_s = primwork + 104159;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_f_s = primwork + 106931;
115 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_g_s = primwork + 110891;
116 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_h_s = primwork + 115841;
117 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_i_s = primwork + 121385;
118 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_k_s = primwork + 126929;
119 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_l_s = primwork + 131681;
120 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_s_s = primwork + 134651;
121 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_p_s = primwork + 135353;
122 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_d_s = primwork + 137225;
123 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_f_s = primwork + 140501;
124 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_g_s = primwork + 145181;
125 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_h_s = primwork + 151031;
126 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_i_s = primwork + 157583;
127 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_k_s = primwork + 164135;
128 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_l_s = primwork + 169751;
129 double * const hrrwork = (double *)(primwork + 173261);
130 double * const HRR_INT__i_p_k_s = hrrwork + 0;
131 double * const HRR_INT__i_p_l_s = hrrwork + 3024;
132 double * const HRR_INT__i_d_k_s = hrrwork + 6804;
133 double * const HRR_INT__i_d_l_s = hrrwork + 12852;
134 double * const HRR_INT__i_f_k_s = hrrwork + 20412;
135 double * const HRR_INT__i_f_l_s = hrrwork + 30492;
136 double * const HRR_INT__i_g_k_s = hrrwork + 43092;
137 double * const HRR_INT__i_g_l_s = hrrwork + 58212;
138 double * const HRR_INT__i_h_k_s = hrrwork + 77112;
139 double * const HRR_INT__i_h_l_s = hrrwork + 98280;
140 double * const HRR_INT__k_p_k_s = hrrwork + 124740;
141 double * const HRR_INT__k_p_l_s = hrrwork + 128628;
142 double * const HRR_INT__k_d_k_s = hrrwork + 133488;
143 double * const HRR_INT__k_d_l_s = hrrwork + 141264;
144 double * const HRR_INT__k_f_k_s = hrrwork + 150984;
145 double * const HRR_INT__k_f_l_s = hrrwork + 163944;
146 double * const HRR_INT__k_g_k_s = hrrwork + 180144;
147 double * const HRR_INT__k_g_l_s = hrrwork + 199584;
148 double * const HRR_INT__l_p_k_s = hrrwork + 223884;
149 double * const HRR_INT__l_p_l_s = hrrwork + 228744;
150 double * const HRR_INT__l_d_k_s = hrrwork + 234819;
151 double * const HRR_INT__l_d_l_s = hrrwork + 244539;
152 double * const HRR_INT__l_f_k_s = hrrwork + 256689;
153 double * const HRR_INT__l_f_l_s = hrrwork + 272889;
154 double * const HRR_INT__m_p_k_s = hrrwork + 293139;
155 double * const HRR_INT__m_p_l_s = hrrwork + 299079;
156 double * const HRR_INT__m_d_k_s = hrrwork + 306504;
157 double * const HRR_INT__m_d_l_s = hrrwork + 318384;
158 double * const HRR_INT__n_p_k_s = hrrwork + 333234;
159 double * const HRR_INT__n_p_l_s = hrrwork + 340362;
160
161
162 // Create constants
163 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
164 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
165 const SIMINT_DBLTYPE const_11 = SIMINT_DBLSET1(11);
166 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
167 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
168 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
169 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
170 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
171 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
172 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
173 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
174 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
175
176
177 ////////////////////////////////////////
178 // Loop over shells and primitives
179 ////////////////////////////////////////
180
181 real_abcd = 0;
182 istart = 0;
183 for(ab = 0; ab < P.nshell12_clip; ++ab)
184 {
185 const int iend = istart + P.nprim12[ab];
186
187 cd = 0;
188 jstart = 0;
189
190 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
191 {
192 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
193 int jend = jstart;
194 for(i = 0; i < nshellbatch; i++)
195 jend += Q.nprim12[cd+i];
196
197 // Clear the beginning of the workspace (where we are accumulating integrals)
198 memset(work, 0, SIMINT_NSHELL_SIMD * 24948 * sizeof(double));
199 abcd = 0;
200
201
202 for(i = istart; i < iend; ++i)
203 {
204 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
205
206 if(check_screen)
207 {
208 // Skip this whole thing if always insignificant
209 if((P.screen[i] * Q.screen_max) < screen_tol)
210 continue;
211 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
212 }
213
214 icd = 0;
215 iprimcd = 0;
216 nprim_icd = Q.nprim12[cd];
217 double * restrict PRIM_PTR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
218 double * restrict PRIM_PTR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
219 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
220 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
221 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
222 double * restrict PRIM_PTR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
223 double * restrict PRIM_PTR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
224 double * restrict PRIM_PTR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
225 double * restrict PRIM_PTR_INT__n_s_k_s = INT__n_s_k_s + abcd * 2376;
226 double * restrict PRIM_PTR_INT__n_s_l_s = INT__n_s_l_s + abcd * 2970;
227 double * restrict PRIM_PTR_INT__o_s_k_s = INT__o_s_k_s + abcd * 2808;
228 double * restrict PRIM_PTR_INT__o_s_l_s = INT__o_s_l_s + abcd * 3510;
229
230
231
232 // Load these one per loop over i
233 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
234 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
235 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
236
237 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
238
239 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
240 {
241 // calculate the shell offsets
242 // these are the offset from the shell pointed to by cd
243 // for each element
244 int shelloffsets[SIMINT_SIMD_LEN] = {0};
245 int lastoffset = 0;
246 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
247
248 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
249 {
250 // Handle if the first element of the vector is a new shell
251 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
252 {
253 nprim_icd += Q.nprim12[cd + (++icd)];
254 PRIM_PTR_INT__i_s_k_s += 1008;
255 PRIM_PTR_INT__i_s_l_s += 1260;
256 PRIM_PTR_INT__k_s_k_s += 1296;
257 PRIM_PTR_INT__k_s_l_s += 1620;
258 PRIM_PTR_INT__l_s_k_s += 1620;
259 PRIM_PTR_INT__l_s_l_s += 2025;
260 PRIM_PTR_INT__m_s_k_s += 1980;
261 PRIM_PTR_INT__m_s_l_s += 2475;
262 PRIM_PTR_INT__n_s_k_s += 2376;
263 PRIM_PTR_INT__n_s_l_s += 2970;
264 PRIM_PTR_INT__o_s_k_s += 2808;
265 PRIM_PTR_INT__o_s_l_s += 3510;
266 }
267 iprimcd++;
268 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
269 {
270 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
271 {
272 shelloffsets[n] = shelloffsets[n-1] + 1;
273 lastoffset++;
274 nprim_icd += Q.nprim12[cd + (++icd)];
275 }
276 else
277 shelloffsets[n] = shelloffsets[n-1];
278 iprimcd++;
279 }
280 }
281 else
282 iprimcd += SIMINT_SIMD_LEN;
283
284 // Do we have to compute this vector (or has it been screened out)?
285 // (not_screened != 0 means we have to do this vector)
286 if(check_screen)
287 {
288 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
289 if(vmax < screen_tol)
290 {
291 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
292 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
293 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
294 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
295 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
296 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
297 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
298 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
299 PRIM_PTR_INT__n_s_k_s += lastoffset*2376;
300 PRIM_PTR_INT__n_s_l_s += lastoffset*2970;
301 PRIM_PTR_INT__o_s_k_s += lastoffset*2808;
302 PRIM_PTR_INT__o_s_l_s += lastoffset*3510;
303 continue;
304 }
305 }
306
307 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
308 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
309 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
310 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
311
312
313 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
314 SIMINT_DBLTYPE PQ[3];
315 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
316 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
317 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
318 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
319 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
320 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
321
322 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
323 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
324 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
325 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
326 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
327 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
328 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
329
330 // NOTE: Minus sign!
331 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
332 SIMINT_DBLTYPE aop_PQ[3];
333 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
334 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
335 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
336
337 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
338 SIMINT_DBLTYPE aoq_PQ[3];
339 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
340 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
341 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
342 // Put a minus sign here so we don't have to in RR routines
343 a_over_q = SIMINT_NEG(a_over_q);
344
345
346 //////////////////////////////////////////////
347 // Fjt function section
348 // Maximum v value: 19
349 //////////////////////////////////////////////
350 // The parameter to the Fjt function
351 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
352
353
354 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
355
356
357 boys_F_split(PRIM_INT__s_s_s_s, F_x, 19);
358 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
359 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
360 for(n = 0; n <= 19; n++)
361 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
362
363 //////////////////////////////////////////////
364 // Primitive integrals: Vertical recurrance
365 //////////////////////////////////////////////
366
367 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
368 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
369 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
370 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
371 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
372 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
373 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
374 const SIMINT_DBLTYPE vrr_const_8_over_2p = SIMINT_MUL(const_8, one_over_2p);
375 const SIMINT_DBLTYPE vrr_const_9_over_2p = SIMINT_MUL(const_9, one_over_2p);
376 const SIMINT_DBLTYPE vrr_const_10_over_2p = SIMINT_MUL(const_10, one_over_2p);
377 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
378 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
379 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
380 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
381 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
382 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
383 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
384 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
385 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
386 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
387 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
388 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
389 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
390 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
391 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
392 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
393 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
394 const SIMINT_DBLTYPE vrr_const_11_over_2pq = SIMINT_MUL(const_11, one_over_2pq);
395
396
397
398 // Forming PRIM_INT__p_s_s_s[19 * 3];
399 for(n = 0; n < 19; ++n) // loop over orders of auxiliary function
400 {
401
402 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
403 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]);
404
405 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
406 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]);
407
408 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
409 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]);
410
411 }
412
413
414
415 // Forming PRIM_INT__d_s_s_s[18 * 6];
416 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
417 {
418
419 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
420 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]);
421 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]);
422
423 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
424 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 1]);
425
426 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
427 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 2]);
428
429 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
430 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]);
431 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]);
432
433 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
434 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_s_s[n * 6 + 4]);
435
436 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
437 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]);
438 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]);
439
440 }
441
442
443
444 // Forming PRIM_INT__f_s_s_s[17 * 10];
445 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
446 {
447
448 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
449 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]);
450 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]);
451
452 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
453 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 1]);
454
455 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
456 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 2]);
457
458 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
459 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 3]);
460
461 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
462 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__f_s_s_s[n * 10 + 4]);
463
464 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
465 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 5]);
466
467 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
468 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]);
469 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]);
470
471 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
472 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 7]);
473
474 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
475 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 8]);
476
477 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
478 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]);
479 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]);
480
481 }
482
483
484 VRR_I_g_s_s_s(
485 PRIM_INT__g_s_s_s,
486 PRIM_INT__f_s_s_s,
487 PRIM_INT__d_s_s_s,
488 P_PA,
489 a_over_p,
490 aop_PQ,
491 one_over_2p,
492 16);
493
494
495 VRR_I_h_s_s_s(
496 PRIM_INT__h_s_s_s,
497 PRIM_INT__g_s_s_s,
498 PRIM_INT__f_s_s_s,
499 P_PA,
500 a_over_p,
501 aop_PQ,
502 one_over_2p,
503 15);
504
505
506 ostei_general_vrr1_I(6, 14,
507 one_over_2p, a_over_p, aop_PQ, P_PA,
508 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
509
510
511 ostei_general_vrr_K(6, 0, 1, 0, 8,
512 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
513 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
514
515
516 ostei_general_vrr_K(5, 0, 1, 0, 8,
517 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
518 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
519
520
521 ostei_general_vrr_K(6, 0, 2, 0, 7,
522 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
523 PRIM_INT__i_s_p_s, PRIM_INT__i_s_s_s, NULL, PRIM_INT__h_s_p_s, NULL, PRIM_INT__i_s_d_s);
524
525
526 VRR_K_g_s_p_s(
527 PRIM_INT__g_s_p_s,
528 PRIM_INT__g_s_s_s,
529 PRIM_INT__f_s_s_s,
530 Q_PA,
531 aoq_PQ,
532 one_over_2pq,
533 8);
534
535
536 ostei_general_vrr_K(5, 0, 2, 0, 7,
537 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
538 PRIM_INT__h_s_p_s, PRIM_INT__h_s_s_s, NULL, PRIM_INT__g_s_p_s, NULL, PRIM_INT__h_s_d_s);
539
540
541 ostei_general_vrr_K(6, 0, 3, 0, 6,
542 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
543 PRIM_INT__i_s_d_s, PRIM_INT__i_s_p_s, NULL, PRIM_INT__h_s_d_s, NULL, PRIM_INT__i_s_f_s);
544
545
546 VRR_K_f_s_p_s(
547 PRIM_INT__f_s_p_s,
548 PRIM_INT__f_s_s_s,
549 PRIM_INT__d_s_s_s,
550 Q_PA,
551 aoq_PQ,
552 one_over_2pq,
553 8);
554
555
556 ostei_general_vrr_K(4, 0, 2, 0, 7,
557 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
558 PRIM_INT__g_s_p_s, PRIM_INT__g_s_s_s, NULL, PRIM_INT__f_s_p_s, NULL, PRIM_INT__g_s_d_s);
559
560
561 ostei_general_vrr_K(5, 0, 3, 0, 6,
562 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
563 PRIM_INT__h_s_d_s, PRIM_INT__h_s_p_s, NULL, PRIM_INT__g_s_d_s, NULL, PRIM_INT__h_s_f_s);
564
565
566 ostei_general_vrr_K(6, 0, 4, 0, 5,
567 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
568 PRIM_INT__i_s_f_s, PRIM_INT__i_s_d_s, NULL, PRIM_INT__h_s_f_s, NULL, PRIM_INT__i_s_g_s);
569
570
571
572 // Forming PRIM_INT__d_s_p_s[8 * 18];
573 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
574 {
575
576 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
577 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
578 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
579
580 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
581 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 1]);
582
583 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
584 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 2]);
585
586 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
587 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 3]);
588 PRIM_INT__d_s_p_s[n * 18 + 3] = 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 + 3]);
589
590 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
591 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 4]);
592 PRIM_INT__d_s_p_s[n * 18 + 4] = 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 + 4]);
593
594 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
595 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 5]);
596
597 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
598 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 6]);
599 PRIM_INT__d_s_p_s[n * 18 + 6] = 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 + 6]);
600
601 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
602 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 7]);
603
604 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
605 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 8]);
606 PRIM_INT__d_s_p_s[n * 18 + 8] = 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 + 8]);
607
608 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
609 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 9]);
610
611 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
612 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 10]);
613 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 10]);
614
615 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
616 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 11]);
617
618 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
619 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 12]);
620
621 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
622 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 13]);
623 PRIM_INT__d_s_p_s[n * 18 + 13] = 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 + 13]);
624
625 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
626 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 14]);
627 PRIM_INT__d_s_p_s[n * 18 + 14] = 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 + 14]);
628
629 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
630 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 15]);
631
632 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
633 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 16]);
634
635 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
636 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 17]);
637 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 17]);
638
639 }
640
641
642 VRR_K_f_s_d_s(
643 PRIM_INT__f_s_d_s,
644 PRIM_INT__f_s_p_s,
645 PRIM_INT__f_s_s_s,
646 PRIM_INT__d_s_p_s,
647 Q_PA,
648 a_over_q,
649 aoq_PQ,
650 one_over_2pq,
651 one_over_2q,
652 7);
653
654
655 ostei_general_vrr_K(4, 0, 3, 0, 6,
656 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
657 PRIM_INT__g_s_d_s, PRIM_INT__g_s_p_s, NULL, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_f_s);
658
659
660 ostei_general_vrr_K(5, 0, 4, 0, 5,
661 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
662 PRIM_INT__h_s_f_s, PRIM_INT__h_s_d_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
663
664
665 ostei_general_vrr_K(6, 0, 5, 0, 4,
666 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
667 PRIM_INT__i_s_g_s, PRIM_INT__i_s_f_s, NULL, PRIM_INT__h_s_g_s, NULL, PRIM_INT__i_s_h_s);
668
669
670
671 // Forming PRIM_INT__p_s_p_s[8 * 9];
672 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
673 {
674
675 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
676 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
677 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]);
678
679 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
680 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 1]);
681
682 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
683 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 2]);
684
685 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
686 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 3]);
687
688 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
689 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
690 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]);
691
692 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
693 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 5]);
694
695 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
696 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 6]);
697
698 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
699 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 7]);
700
701 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
702 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
703 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]);
704
705 }
706
707
708 VRR_K_d_s_d_s(
709 PRIM_INT__d_s_d_s,
710 PRIM_INT__d_s_p_s,
711 PRIM_INT__d_s_s_s,
712 PRIM_INT__p_s_p_s,
713 Q_PA,
714 a_over_q,
715 aoq_PQ,
716 one_over_2pq,
717 one_over_2q,
718 7);
719
720
721 ostei_general_vrr_K(3, 0, 3, 0, 6,
722 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
723 PRIM_INT__f_s_d_s, PRIM_INT__f_s_p_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
724
725
726 ostei_general_vrr_K(4, 0, 4, 0, 5,
727 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
728 PRIM_INT__g_s_f_s, PRIM_INT__g_s_d_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
729
730
731 ostei_general_vrr_K(5, 0, 5, 0, 4,
732 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
733 PRIM_INT__h_s_g_s, PRIM_INT__h_s_f_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
734
735
736 ostei_general_vrr_K(6, 0, 6, 0, 3,
737 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
738 PRIM_INT__i_s_h_s, PRIM_INT__i_s_g_s, NULL, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_i_s);
739
740
741
742 // Forming PRIM_INT__s_s_p_s[8 * 3];
743 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
744 {
745
746 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
747 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]);
748
749 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
750 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]);
751
752 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
753 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]);
754
755 }
756
757
758
759 // Forming PRIM_INT__p_s_d_s[7 * 18];
760 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
761 {
762
763 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
764 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
765 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 0]);
766 PRIM_INT__p_s_d_s[n * 18 + 0] = 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 + 0]);
767
768 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
769 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__p_s_d_s[n * 18 + 3]);
770 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 3]);
771
772 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
773 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__p_s_d_s[n * 18 + 5]);
774 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 5]);
775
776 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
777 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__p_s_d_s[n * 18 + 6]);
778 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 6]);
779
780 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
781 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__p_s_d_s[n * 18 + 9]);
782 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 9]);
783 PRIM_INT__p_s_d_s[n * 18 + 9] = 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 + 9]);
784
785 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
786 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
787 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 11]);
788
789 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
790 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__p_s_d_s[n * 18 + 12]);
791 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 12]);
792
793 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
794 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__p_s_d_s[n * 18 + 15]);
795 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 15]);
796
797 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
798 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__p_s_d_s[n * 18 + 17]);
799 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 17]);
800 PRIM_INT__p_s_d_s[n * 18 + 17] = 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 + 17]);
801
802 }
803
804
805 VRR_K_d_s_f_s(
806 PRIM_INT__d_s_f_s,
807 PRIM_INT__d_s_d_s,
808 PRIM_INT__d_s_p_s,
809 PRIM_INT__p_s_d_s,
810 Q_PA,
811 a_over_q,
812 aoq_PQ,
813 one_over_2pq,
814 one_over_2q,
815 6);
816
817
818 ostei_general_vrr_K(3, 0, 4, 0, 5,
819 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
820 PRIM_INT__f_s_f_s, PRIM_INT__f_s_d_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
821
822
823 ostei_general_vrr_K(4, 0, 5, 0, 4,
824 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
825 PRIM_INT__g_s_g_s, PRIM_INT__g_s_f_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
826
827
828 ostei_general_vrr_K(5, 0, 6, 0, 3,
829 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
830 PRIM_INT__h_s_h_s, PRIM_INT__h_s_g_s, NULL, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_i_s);
831
832
833 ostei_general_vrr_K(6, 0, 7, 0, 2,
834 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
835 PRIM_INT__i_s_i_s, PRIM_INT__i_s_h_s, NULL, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_k_s);
836
837
838
839 // Forming PRIM_INT__s_s_d_s[7 * 6];
840 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
841 {
842
843 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
844 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]);
845 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]);
846
847 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
848 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]);
849 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]);
850
851 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
852 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]);
853 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]);
854
855 }
856
857
858 VRR_K_p_s_f_s(
859 PRIM_INT__p_s_f_s,
860 PRIM_INT__p_s_d_s,
861 PRIM_INT__p_s_p_s,
862 PRIM_INT__s_s_d_s,
863 Q_PA,
864 a_over_q,
865 aoq_PQ,
866 one_over_2pq,
867 one_over_2q,
868 6);
869
870
871 ostei_general_vrr_K(2, 0, 4, 0, 5,
872 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
873 PRIM_INT__d_s_f_s, PRIM_INT__d_s_d_s, NULL, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_g_s);
874
875
876 ostei_general_vrr_K(3, 0, 5, 0, 4,
877 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
878 PRIM_INT__f_s_g_s, PRIM_INT__f_s_f_s, NULL, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_h_s);
879
880
881 ostei_general_vrr_K(4, 0, 6, 0, 3,
882 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
883 PRIM_INT__g_s_h_s, PRIM_INT__g_s_g_s, NULL, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_i_s);
884
885
886 ostei_general_vrr_K(5, 0, 7, 0, 2,
887 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
888 PRIM_INT__h_s_i_s, PRIM_INT__h_s_h_s, NULL, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_k_s);
889
890
891 ostei_general_vrr_K(6, 0, 8, 0, 1,
892 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
893 PRIM_INT__i_s_k_s, PRIM_INT__i_s_i_s, NULL, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_l_s);
894
895
896 ostei_general_vrr1_I(7, 13,
897 one_over_2p, a_over_p, aop_PQ, P_PA,
898 PRIM_INT__i_s_s_s, PRIM_INT__h_s_s_s, PRIM_INT__k_s_s_s);
899
900
901 ostei_general_vrr_K(7, 0, 1, 0, 8,
902 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
903 PRIM_INT__k_s_s_s, NULL, NULL, PRIM_INT__i_s_s_s, NULL, PRIM_INT__k_s_p_s);
904
905
906 ostei_general_vrr_K(7, 0, 2, 0, 7,
907 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
908 PRIM_INT__k_s_p_s, PRIM_INT__k_s_s_s, NULL, PRIM_INT__i_s_p_s, NULL, PRIM_INT__k_s_d_s);
909
910
911 ostei_general_vrr_K(7, 0, 3, 0, 6,
912 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
913 PRIM_INT__k_s_d_s, PRIM_INT__k_s_p_s, NULL, PRIM_INT__i_s_d_s, NULL, PRIM_INT__k_s_f_s);
914
915
916 ostei_general_vrr_K(7, 0, 4, 0, 5,
917 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
918 PRIM_INT__k_s_f_s, PRIM_INT__k_s_d_s, NULL, PRIM_INT__i_s_f_s, NULL, PRIM_INT__k_s_g_s);
919
920
921 ostei_general_vrr_K(7, 0, 5, 0, 4,
922 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
923 PRIM_INT__k_s_g_s, PRIM_INT__k_s_f_s, NULL, PRIM_INT__i_s_g_s, NULL, PRIM_INT__k_s_h_s);
924
925
926 ostei_general_vrr_K(7, 0, 6, 0, 3,
927 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
928 PRIM_INT__k_s_h_s, PRIM_INT__k_s_g_s, NULL, PRIM_INT__i_s_h_s, NULL, PRIM_INT__k_s_i_s);
929
930
931 ostei_general_vrr_K(7, 0, 7, 0, 2,
932 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
933 PRIM_INT__k_s_i_s, PRIM_INT__k_s_h_s, NULL, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_k_s);
934
935
936 ostei_general_vrr_K(7, 0, 8, 0, 1,
937 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
938 PRIM_INT__k_s_k_s, PRIM_INT__k_s_i_s, NULL, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_l_s);
939
940
941 ostei_general_vrr1_I(8, 12,
942 one_over_2p, a_over_p, aop_PQ, P_PA,
943 PRIM_INT__k_s_s_s, PRIM_INT__i_s_s_s, PRIM_INT__l_s_s_s);
944
945
946 ostei_general_vrr_K(8, 0, 1, 0, 8,
947 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
948 PRIM_INT__l_s_s_s, NULL, NULL, PRIM_INT__k_s_s_s, NULL, PRIM_INT__l_s_p_s);
949
950
951 ostei_general_vrr_K(8, 0, 2, 0, 7,
952 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
953 PRIM_INT__l_s_p_s, PRIM_INT__l_s_s_s, NULL, PRIM_INT__k_s_p_s, NULL, PRIM_INT__l_s_d_s);
954
955
956 ostei_general_vrr_K(8, 0, 3, 0, 6,
957 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
958 PRIM_INT__l_s_d_s, PRIM_INT__l_s_p_s, NULL, PRIM_INT__k_s_d_s, NULL, PRIM_INT__l_s_f_s);
959
960
961 ostei_general_vrr_K(8, 0, 4, 0, 5,
962 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
963 PRIM_INT__l_s_f_s, PRIM_INT__l_s_d_s, NULL, PRIM_INT__k_s_f_s, NULL, PRIM_INT__l_s_g_s);
964
965
966 ostei_general_vrr_K(8, 0, 5, 0, 4,
967 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
968 PRIM_INT__l_s_g_s, PRIM_INT__l_s_f_s, NULL, PRIM_INT__k_s_g_s, NULL, PRIM_INT__l_s_h_s);
969
970
971 ostei_general_vrr_K(8, 0, 6, 0, 3,
972 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
973 PRIM_INT__l_s_h_s, PRIM_INT__l_s_g_s, NULL, PRIM_INT__k_s_h_s, NULL, PRIM_INT__l_s_i_s);
974
975
976 ostei_general_vrr_K(8, 0, 7, 0, 2,
977 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
978 PRIM_INT__l_s_i_s, PRIM_INT__l_s_h_s, NULL, PRIM_INT__k_s_i_s, NULL, PRIM_INT__l_s_k_s);
979
980
981 ostei_general_vrr_K(8, 0, 8, 0, 1,
982 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
983 PRIM_INT__l_s_k_s, PRIM_INT__l_s_i_s, NULL, PRIM_INT__k_s_k_s, NULL, PRIM_INT__l_s_l_s);
984
985
986 ostei_general_vrr1_I(9, 11,
987 one_over_2p, a_over_p, aop_PQ, P_PA,
988 PRIM_INT__l_s_s_s, PRIM_INT__k_s_s_s, PRIM_INT__m_s_s_s);
989
990
991 ostei_general_vrr_K(9, 0, 1, 0, 8,
992 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
993 PRIM_INT__m_s_s_s, NULL, NULL, PRIM_INT__l_s_s_s, NULL, PRIM_INT__m_s_p_s);
994
995
996 ostei_general_vrr_K(9, 0, 2, 0, 7,
997 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
998 PRIM_INT__m_s_p_s, PRIM_INT__m_s_s_s, NULL, PRIM_INT__l_s_p_s, NULL, PRIM_INT__m_s_d_s);
999
1000
1001 ostei_general_vrr_K(9, 0, 3, 0, 6,
1002 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1003 PRIM_INT__m_s_d_s, PRIM_INT__m_s_p_s, NULL, PRIM_INT__l_s_d_s, NULL, PRIM_INT__m_s_f_s);
1004
1005
1006 ostei_general_vrr_K(9, 0, 4, 0, 5,
1007 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1008 PRIM_INT__m_s_f_s, PRIM_INT__m_s_d_s, NULL, PRIM_INT__l_s_f_s, NULL, PRIM_INT__m_s_g_s);
1009
1010
1011 ostei_general_vrr_K(9, 0, 5, 0, 4,
1012 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1013 PRIM_INT__m_s_g_s, PRIM_INT__m_s_f_s, NULL, PRIM_INT__l_s_g_s, NULL, PRIM_INT__m_s_h_s);
1014
1015
1016 ostei_general_vrr_K(9, 0, 6, 0, 3,
1017 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1018 PRIM_INT__m_s_h_s, PRIM_INT__m_s_g_s, NULL, PRIM_INT__l_s_h_s, NULL, PRIM_INT__m_s_i_s);
1019
1020
1021 ostei_general_vrr_K(9, 0, 7, 0, 2,
1022 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1023 PRIM_INT__m_s_i_s, PRIM_INT__m_s_h_s, NULL, PRIM_INT__l_s_i_s, NULL, PRIM_INT__m_s_k_s);
1024
1025
1026 ostei_general_vrr_K(9, 0, 8, 0, 1,
1027 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1028 PRIM_INT__m_s_k_s, PRIM_INT__m_s_i_s, NULL, PRIM_INT__l_s_k_s, NULL, PRIM_INT__m_s_l_s);
1029
1030
1031 ostei_general_vrr1_I(10, 10,
1032 one_over_2p, a_over_p, aop_PQ, P_PA,
1033 PRIM_INT__m_s_s_s, PRIM_INT__l_s_s_s, PRIM_INT__n_s_s_s);
1034
1035
1036 ostei_general_vrr_K(10, 0, 1, 0, 8,
1037 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1038 PRIM_INT__n_s_s_s, NULL, NULL, PRIM_INT__m_s_s_s, NULL, PRIM_INT__n_s_p_s);
1039
1040
1041 ostei_general_vrr_K(10, 0, 2, 0, 7,
1042 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1043 PRIM_INT__n_s_p_s, PRIM_INT__n_s_s_s, NULL, PRIM_INT__m_s_p_s, NULL, PRIM_INT__n_s_d_s);
1044
1045
1046 ostei_general_vrr_K(10, 0, 3, 0, 6,
1047 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1048 PRIM_INT__n_s_d_s, PRIM_INT__n_s_p_s, NULL, PRIM_INT__m_s_d_s, NULL, PRIM_INT__n_s_f_s);
1049
1050
1051 ostei_general_vrr_K(10, 0, 4, 0, 5,
1052 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1053 PRIM_INT__n_s_f_s, PRIM_INT__n_s_d_s, NULL, PRIM_INT__m_s_f_s, NULL, PRIM_INT__n_s_g_s);
1054
1055
1056 ostei_general_vrr_K(10, 0, 5, 0, 4,
1057 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1058 PRIM_INT__n_s_g_s, PRIM_INT__n_s_f_s, NULL, PRIM_INT__m_s_g_s, NULL, PRIM_INT__n_s_h_s);
1059
1060
1061 ostei_general_vrr_K(10, 0, 6, 0, 3,
1062 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1063 PRIM_INT__n_s_h_s, PRIM_INT__n_s_g_s, NULL, PRIM_INT__m_s_h_s, NULL, PRIM_INT__n_s_i_s);
1064
1065
1066 ostei_general_vrr_K(10, 0, 7, 0, 2,
1067 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1068 PRIM_INT__n_s_i_s, PRIM_INT__n_s_h_s, NULL, PRIM_INT__m_s_i_s, NULL, PRIM_INT__n_s_k_s);
1069
1070
1071 ostei_general_vrr_K(10, 0, 8, 0, 1,
1072 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1073 PRIM_INT__n_s_k_s, PRIM_INT__n_s_i_s, NULL, PRIM_INT__m_s_k_s, NULL, PRIM_INT__n_s_l_s);
1074
1075
1076 ostei_general_vrr1_I(11, 9,
1077 one_over_2p, a_over_p, aop_PQ, P_PA,
1078 PRIM_INT__n_s_s_s, PRIM_INT__m_s_s_s, PRIM_INT__o_s_s_s);
1079
1080
1081 ostei_general_vrr_K(11, 0, 1, 0, 8,
1082 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1083 PRIM_INT__o_s_s_s, NULL, NULL, PRIM_INT__n_s_s_s, NULL, PRIM_INT__o_s_p_s);
1084
1085
1086 ostei_general_vrr_K(11, 0, 2, 0, 7,
1087 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1088 PRIM_INT__o_s_p_s, PRIM_INT__o_s_s_s, NULL, PRIM_INT__n_s_p_s, NULL, PRIM_INT__o_s_d_s);
1089
1090
1091 ostei_general_vrr_K(11, 0, 3, 0, 6,
1092 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1093 PRIM_INT__o_s_d_s, PRIM_INT__o_s_p_s, NULL, PRIM_INT__n_s_d_s, NULL, PRIM_INT__o_s_f_s);
1094
1095
1096 ostei_general_vrr_K(11, 0, 4, 0, 5,
1097 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1098 PRIM_INT__o_s_f_s, PRIM_INT__o_s_d_s, NULL, PRIM_INT__n_s_f_s, NULL, PRIM_INT__o_s_g_s);
1099
1100
1101 ostei_general_vrr_K(11, 0, 5, 0, 4,
1102 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1103 PRIM_INT__o_s_g_s, PRIM_INT__o_s_f_s, NULL, PRIM_INT__n_s_g_s, NULL, PRIM_INT__o_s_h_s);
1104
1105
1106 ostei_general_vrr_K(11, 0, 6, 0, 3,
1107 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1108 PRIM_INT__o_s_h_s, PRIM_INT__o_s_g_s, NULL, PRIM_INT__n_s_h_s, NULL, PRIM_INT__o_s_i_s);
1109
1110
1111 ostei_general_vrr_K(11, 0, 7, 0, 2,
1112 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1113 PRIM_INT__o_s_i_s, PRIM_INT__o_s_h_s, NULL, PRIM_INT__n_s_i_s, NULL, PRIM_INT__o_s_k_s);
1114
1115
1116 ostei_general_vrr_K(11, 0, 8, 0, 1,
1117 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1118 PRIM_INT__o_s_k_s, PRIM_INT__o_s_i_s, NULL, PRIM_INT__n_s_k_s, NULL, PRIM_INT__o_s_l_s);
1119
1120
1121
1122
1123 ////////////////////////////////////
1124 // Accumulate contracted integrals
1125 ////////////////////////////////////
1126 if(lastoffset == 0)
1127 {
1128 contract_all(1008, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1129 contract_all(1260, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
1130 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1131 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1132 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1133 contract_all(2025, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1134 contract_all(1980, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1135 contract_all(2475, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1136 contract_all(2376, PRIM_INT__n_s_k_s, PRIM_PTR_INT__n_s_k_s);
1137 contract_all(2970, PRIM_INT__n_s_l_s, PRIM_PTR_INT__n_s_l_s);
1138 contract_all(2808, PRIM_INT__o_s_k_s, PRIM_PTR_INT__o_s_k_s);
1139 contract_all(3510, PRIM_INT__o_s_l_s, PRIM_PTR_INT__o_s_l_s);
1140 }
1141 else
1142 {
1143 contract(1008, shelloffsets, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1144 contract(1260, shelloffsets, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
1145 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1146 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1147 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1148 contract(2025, shelloffsets, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1149 contract(1980, shelloffsets, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1150 contract(2475, shelloffsets, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1151 contract(2376, shelloffsets, PRIM_INT__n_s_k_s, PRIM_PTR_INT__n_s_k_s);
1152 contract(2970, shelloffsets, PRIM_INT__n_s_l_s, PRIM_PTR_INT__n_s_l_s);
1153 contract(2808, shelloffsets, PRIM_INT__o_s_k_s, PRIM_PTR_INT__o_s_k_s);
1154 contract(3510, shelloffsets, PRIM_INT__o_s_l_s, PRIM_PTR_INT__o_s_l_s);
1155 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
1156 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
1157 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1158 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
1159 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1160 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
1161 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
1162 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
1163 PRIM_PTR_INT__n_s_k_s += lastoffset*2376;
1164 PRIM_PTR_INT__n_s_l_s += lastoffset*2970;
1165 PRIM_PTR_INT__o_s_k_s += lastoffset*2808;
1166 PRIM_PTR_INT__o_s_l_s += lastoffset*3510;
1167 }
1168
1169 } // close loop over j
1170 } // close loop over i
1171
1172 //Advance to the next batch
1173 jstart = SIMINT_SIMD_ROUND(jend);
1174
1175 //////////////////////////////////////////////
1176 // Contracted integrals: Horizontal recurrance
1177 //////////////////////////////////////////////
1178
1179
1180 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1181
1182
1183 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1184 {
1185 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1186
1187 // set up HRR pointers
1188 double const * restrict HRR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
1189 double const * restrict HRR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
1190 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1191 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
1192 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1193 double const * restrict HRR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
1194 double const * restrict HRR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
1195 double const * restrict HRR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
1196 double const * restrict HRR_INT__n_s_k_s = INT__n_s_k_s + abcd * 2376;
1197 double const * restrict HRR_INT__n_s_l_s = INT__n_s_l_s + abcd * 2970;
1198 double const * restrict HRR_INT__o_s_k_s = INT__o_s_k_s + abcd * 2808;
1199 double const * restrict HRR_INT__o_s_l_s = INT__o_s_l_s + abcd * 3510;
1200 double * restrict HRR_INT__i_h_k_p = INT__i_h_k_p + real_abcd * 63504;
1201
1202 // form INT__i_p_k_s
1203 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);
1204
1205 // form INT__i_p_l_s
1206 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);
1207
1208 // form INT__k_p_k_s
1209 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);
1210
1211 // form INT__k_p_l_s
1212 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);
1213
1214 // form INT__l_p_k_s
1215 ostei_general_hrr_J(8, 1, 7, 0, hAB, HRR_INT__m_s_k_s, HRR_INT__l_s_k_s, HRR_INT__l_p_k_s);
1216
1217 // form INT__l_p_l_s
1218 ostei_general_hrr_J(8, 1, 8, 0, hAB, HRR_INT__m_s_l_s, HRR_INT__l_s_l_s, HRR_INT__l_p_l_s);
1219
1220 // form INT__m_p_k_s
1221 ostei_general_hrr_J(9, 1, 7, 0, hAB, HRR_INT__n_s_k_s, HRR_INT__m_s_k_s, HRR_INT__m_p_k_s);
1222
1223 // form INT__m_p_l_s
1224 ostei_general_hrr_J(9, 1, 8, 0, hAB, HRR_INT__n_s_l_s, HRR_INT__m_s_l_s, HRR_INT__m_p_l_s);
1225
1226 // form INT__n_p_k_s
1227 ostei_general_hrr_J(10, 1, 7, 0, hAB, HRR_INT__o_s_k_s, HRR_INT__n_s_k_s, HRR_INT__n_p_k_s);
1228
1229 // form INT__n_p_l_s
1230 ostei_general_hrr_J(10, 1, 8, 0, hAB, HRR_INT__o_s_l_s, HRR_INT__n_s_l_s, HRR_INT__n_p_l_s);
1231
1232 // form INT__i_d_k_s
1233 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);
1234
1235 // form INT__i_d_l_s
1236 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);
1237
1238 // form INT__k_d_k_s
1239 ostei_general_hrr_J(7, 2, 7, 0, hAB, HRR_INT__l_p_k_s, HRR_INT__k_p_k_s, HRR_INT__k_d_k_s);
1240
1241 // form INT__k_d_l_s
1242 ostei_general_hrr_J(7, 2, 8, 0, hAB, HRR_INT__l_p_l_s, HRR_INT__k_p_l_s, HRR_INT__k_d_l_s);
1243
1244 // form INT__l_d_k_s
1245 ostei_general_hrr_J(8, 2, 7, 0, hAB, HRR_INT__m_p_k_s, HRR_INT__l_p_k_s, HRR_INT__l_d_k_s);
1246
1247 // form INT__l_d_l_s
1248 ostei_general_hrr_J(8, 2, 8, 0, hAB, HRR_INT__m_p_l_s, HRR_INT__l_p_l_s, HRR_INT__l_d_l_s);
1249
1250 // form INT__m_d_k_s
1251 ostei_general_hrr_J(9, 2, 7, 0, hAB, HRR_INT__n_p_k_s, HRR_INT__m_p_k_s, HRR_INT__m_d_k_s);
1252
1253 // form INT__m_d_l_s
1254 ostei_general_hrr_J(9, 2, 8, 0, hAB, HRR_INT__n_p_l_s, HRR_INT__m_p_l_s, HRR_INT__m_d_l_s);
1255
1256 // form INT__i_f_k_s
1257 ostei_general_hrr_J(6, 3, 7, 0, hAB, HRR_INT__k_d_k_s, HRR_INT__i_d_k_s, HRR_INT__i_f_k_s);
1258
1259 // form INT__i_f_l_s
1260 ostei_general_hrr_J(6, 3, 8, 0, hAB, HRR_INT__k_d_l_s, HRR_INT__i_d_l_s, HRR_INT__i_f_l_s);
1261
1262 // form INT__k_f_k_s
1263 ostei_general_hrr_J(7, 3, 7, 0, hAB, HRR_INT__l_d_k_s, HRR_INT__k_d_k_s, HRR_INT__k_f_k_s);
1264
1265 // form INT__k_f_l_s
1266 ostei_general_hrr_J(7, 3, 8, 0, hAB, HRR_INT__l_d_l_s, HRR_INT__k_d_l_s, HRR_INT__k_f_l_s);
1267
1268 // form INT__l_f_k_s
1269 ostei_general_hrr_J(8, 3, 7, 0, hAB, HRR_INT__m_d_k_s, HRR_INT__l_d_k_s, HRR_INT__l_f_k_s);
1270
1271 // form INT__l_f_l_s
1272 ostei_general_hrr_J(8, 3, 8, 0, hAB, HRR_INT__m_d_l_s, HRR_INT__l_d_l_s, HRR_INT__l_f_l_s);
1273
1274 // form INT__i_g_k_s
1275 ostei_general_hrr_J(6, 4, 7, 0, hAB, HRR_INT__k_f_k_s, HRR_INT__i_f_k_s, HRR_INT__i_g_k_s);
1276
1277 // form INT__i_g_l_s
1278 ostei_general_hrr_J(6, 4, 8, 0, hAB, HRR_INT__k_f_l_s, HRR_INT__i_f_l_s, HRR_INT__i_g_l_s);
1279
1280 // form INT__k_g_k_s
1281 ostei_general_hrr_J(7, 4, 7, 0, hAB, HRR_INT__l_f_k_s, HRR_INT__k_f_k_s, HRR_INT__k_g_k_s);
1282
1283 // form INT__k_g_l_s
1284 ostei_general_hrr_J(7, 4, 8, 0, hAB, HRR_INT__l_f_l_s, HRR_INT__k_f_l_s, HRR_INT__k_g_l_s);
1285
1286 // form INT__i_h_k_s
1287 ostei_general_hrr_J(6, 5, 7, 0, hAB, HRR_INT__k_g_k_s, HRR_INT__i_g_k_s, HRR_INT__i_h_k_s);
1288
1289 // form INT__i_h_l_s
1290 ostei_general_hrr_J(6, 5, 8, 0, hAB, HRR_INT__k_g_l_s, HRR_INT__i_g_l_s, HRR_INT__i_h_l_s);
1291
1292 // form INT__i_h_k_p
1293 ostei_general_hrr_L(6, 5, 7, 1, hCD, HRR_INT__i_h_l_s, HRR_INT__i_h_k_s, HRR_INT__i_h_k_p);
1294
1295
1296 } // close HRR loop
1297
1298
1299 } // close loop cdbatch
1300
1301 istart = iend;
1302 } // close loop over ab
1303
1304 return P.nshell12_clip * Q.nshell12_clip;
1305 }
1306
ostei_h_i_k_p(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__h_i_k_p)1307 int ostei_h_i_k_p(struct simint_multi_shellpair const P,
1308 struct simint_multi_shellpair const Q,
1309 double screen_tol,
1310 double * const restrict work,
1311 double * const restrict INT__h_i_k_p)
1312 {
1313 double P_AB[3*P.nshell12];
1314 struct simint_multi_shellpair P_tmp = P;
1315 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1316 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1317 P_tmp.AB_x = P_AB;
1318 P_tmp.AB_y = P_AB + P.nshell12;
1319 P_tmp.AB_z = P_AB + 2*P.nshell12;
1320
1321 for(int i = 0; i < P.nshell12; i++)
1322 {
1323 P_tmp.AB_x[i] = -P.AB_x[i];
1324 P_tmp.AB_y[i] = -P.AB_y[i];
1325 P_tmp.AB_z[i] = -P.AB_z[i];
1326 }
1327
1328 int ret = ostei_i_h_k_p(P_tmp, Q, screen_tol, work, INT__h_i_k_p);
1329 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1330
1331 for(int q = 0; q < ret; q++)
1332 {
1333 int idx = 0;
1334 for(int a = 0; a < 21; ++a)
1335 for(int b = 0; b < 28; ++b)
1336 for(int c = 0; c < 36; ++c)
1337 for(int d = 0; d < 3; ++d)
1338 buffer[idx++] = INT__h_i_k_p[q*63504+b*2268+a*108+c*3+d];
1339
1340 memcpy(INT__h_i_k_p+q*63504, buffer, 63504*sizeof(double));
1341 }
1342
1343 return ret;
1344 }
1345
ostei_i_h_p_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__i_h_p_k)1346 int ostei_i_h_p_k(struct simint_multi_shellpair const P,
1347 struct simint_multi_shellpair const Q,
1348 double screen_tol,
1349 double * const restrict work,
1350 double * const restrict INT__i_h_p_k)
1351 {
1352 double Q_AB[3*Q.nshell12];
1353 struct simint_multi_shellpair Q_tmp = Q;
1354 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1355 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1356 Q_tmp.AB_x = Q_AB;
1357 Q_tmp.AB_y = Q_AB + Q.nshell12;
1358 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1359
1360 for(int i = 0; i < Q.nshell12; i++)
1361 {
1362 Q_tmp.AB_x[i] = -Q.AB_x[i];
1363 Q_tmp.AB_y[i] = -Q.AB_y[i];
1364 Q_tmp.AB_z[i] = -Q.AB_z[i];
1365 }
1366
1367 int ret = ostei_i_h_k_p(P, Q_tmp, screen_tol, work, INT__i_h_p_k);
1368 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1369
1370 for(int q = 0; q < ret; q++)
1371 {
1372 int idx = 0;
1373 for(int a = 0; a < 28; ++a)
1374 for(int b = 0; b < 21; ++b)
1375 for(int c = 0; c < 3; ++c)
1376 for(int d = 0; d < 36; ++d)
1377 buffer[idx++] = INT__i_h_p_k[q*63504+a*2268+b*108+d*3+c];
1378
1379 memcpy(INT__i_h_p_k+q*63504, buffer, 63504*sizeof(double));
1380 }
1381
1382 return ret;
1383 }
1384
ostei_h_i_p_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__h_i_p_k)1385 int ostei_h_i_p_k(struct simint_multi_shellpair const P,
1386 struct simint_multi_shellpair const Q,
1387 double screen_tol,
1388 double * const restrict work,
1389 double * const restrict INT__h_i_p_k)
1390 {
1391 double P_AB[3*P.nshell12];
1392 struct simint_multi_shellpair P_tmp = P;
1393 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1394 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1395 P_tmp.AB_x = P_AB;
1396 P_tmp.AB_y = P_AB + P.nshell12;
1397 P_tmp.AB_z = P_AB + 2*P.nshell12;
1398
1399 for(int i = 0; i < P.nshell12; i++)
1400 {
1401 P_tmp.AB_x[i] = -P.AB_x[i];
1402 P_tmp.AB_y[i] = -P.AB_y[i];
1403 P_tmp.AB_z[i] = -P.AB_z[i];
1404 }
1405
1406 double Q_AB[3*Q.nshell12];
1407 struct simint_multi_shellpair Q_tmp = Q;
1408 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1409 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1410 Q_tmp.AB_x = Q_AB;
1411 Q_tmp.AB_y = Q_AB + Q.nshell12;
1412 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1413
1414 for(int i = 0; i < Q.nshell12; i++)
1415 {
1416 Q_tmp.AB_x[i] = -Q.AB_x[i];
1417 Q_tmp.AB_y[i] = -Q.AB_y[i];
1418 Q_tmp.AB_z[i] = -Q.AB_z[i];
1419 }
1420
1421 int ret = ostei_i_h_k_p(P_tmp, Q_tmp, screen_tol, work, INT__h_i_p_k);
1422 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1423
1424 for(int q = 0; q < ret; q++)
1425 {
1426 int idx = 0;
1427 for(int a = 0; a < 21; ++a)
1428 for(int b = 0; b < 28; ++b)
1429 for(int c = 0; c < 3; ++c)
1430 for(int d = 0; d < 36; ++d)
1431 buffer[idx++] = INT__h_i_p_k[q*63504+b*2268+a*108+d*3+c];
1432
1433 memcpy(INT__h_i_p_k+q*63504, buffer, 63504*sizeof(double));
1434 }
1435
1436 return ret;
1437 }
1438
1439