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_k_d_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__k_d_h_g)8 int ostei_k_d_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__k_d_h_g)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__k_d_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__k_s_h_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 756);
31 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 1764);
32 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 3060);
33 double * const INT__k_s_m_s = work + (SIMINT_NSHELL_SIMD * 4680);
34 double * const INT__l_s_h_s = work + (SIMINT_NSHELL_SIMD * 6660);
35 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 7605);
36 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 8865);
37 double * const INT__l_s_l_s = work + (SIMINT_NSHELL_SIMD * 10485);
38 double * const INT__l_s_m_s = work + (SIMINT_NSHELL_SIMD * 12510);
39 double * const INT__m_s_h_s = work + (SIMINT_NSHELL_SIMD * 14985);
40 double * const INT__m_s_i_s = work + (SIMINT_NSHELL_SIMD * 16140);
41 double * const INT__m_s_k_s = work + (SIMINT_NSHELL_SIMD * 17680);
42 double * const INT__m_s_l_s = work + (SIMINT_NSHELL_SIMD * 19660);
43 double * const INT__m_s_m_s = work + (SIMINT_NSHELL_SIMD * 22135);
44 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*25160);
45 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 19;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 46;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 94;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 148;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 229;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 373;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 583;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 685;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 847;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 1135;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 1555;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 2095;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 2255;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 2525;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 3005;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 3705;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 4605;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 5655;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 5880;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 6285;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 7005;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 8055;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 9405;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 10980;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 12660;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 12954;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 13521;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 14529;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 15999;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 17889;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 20094;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 22446;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 24714;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 25078;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 25834;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 27178;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 29138;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 31658;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 34598;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 37734;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_l_s = primwork + 40758;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_s_s = primwork + 43278;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_p_s = primwork + 43710;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_d_s = primwork + 44682;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_f_s = primwork + 46410;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 48930;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 52170;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 55950;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 59982;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 63870;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_m_s = primwork + 67110;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_s_s = primwork + 69090;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_p_s = primwork + 69585;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_d_s = primwork + 70800;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_f_s = primwork + 72960;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_g_s = primwork + 76110;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 80160;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 84885;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 89925;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_l_s = primwork + 94785;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_m_s = primwork + 98835;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_s_s = primwork + 101310;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_p_s = primwork + 101860;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_d_s = primwork + 103345;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_f_s = primwork + 105985;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_g_s = primwork + 109835;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_h_s = primwork + 114785;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_i_s = primwork + 120560;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_k_s = primwork + 126720;
115 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_l_s = primwork + 132660;
116 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_m_s = primwork + 137610;
117 double * const hrrwork = (double *)(primwork + 140635);
118 double * const HRR_INT__k_p_h_s = hrrwork + 0;
119 double * const HRR_INT__k_p_i_s = hrrwork + 2268;
120 double * const HRR_INT__k_p_k_s = hrrwork + 5292;
121 double * const HRR_INT__k_p_l_s = hrrwork + 9180;
122 double * const HRR_INT__k_p_m_s = hrrwork + 14040;
123 double * const HRR_INT__k_d_h_s = hrrwork + 19980;
124 double * const HRR_INT__k_d_h_p = hrrwork + 24516;
125 double * const HRR_INT__k_d_h_d = hrrwork + 38124;
126 double * const HRR_INT__k_d_h_f = hrrwork + 65340;
127 double * const HRR_INT__k_d_i_s = hrrwork + 110700;
128 double * const HRR_INT__k_d_i_p = hrrwork + 116748;
129 double * const HRR_INT__k_d_i_d = hrrwork + 134892;
130 double * const HRR_INT__k_d_i_f = hrrwork + 171180;
131 double * const HRR_INT__k_d_k_s = hrrwork + 231660;
132 double * const HRR_INT__k_d_k_p = hrrwork + 239436;
133 double * const HRR_INT__k_d_k_d = hrrwork + 262764;
134 double * const HRR_INT__k_d_l_s = hrrwork + 309420;
135 double * const HRR_INT__k_d_l_p = hrrwork + 319140;
136 double * const HRR_INT__k_d_m_s = hrrwork + 348300;
137 double * const HRR_INT__l_p_h_s = hrrwork + 360180;
138 double * const HRR_INT__l_p_i_s = hrrwork + 363015;
139 double * const HRR_INT__l_p_k_s = hrrwork + 366795;
140 double * const HRR_INT__l_p_l_s = hrrwork + 371655;
141 double * const HRR_INT__l_p_m_s = hrrwork + 377730;
142
143
144 // Create constants
145 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
146 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
147 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
148 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
149 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
150 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
151 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
152 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
153 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
154 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
155
156
157 ////////////////////////////////////////
158 // Loop over shells and primitives
159 ////////////////////////////////////////
160
161 real_abcd = 0;
162 istart = 0;
163 for(ab = 0; ab < P.nshell12_clip; ++ab)
164 {
165 const int iend = istart + P.nprim12[ab];
166
167 cd = 0;
168 jstart = 0;
169
170 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
171 {
172 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
173 int jend = jstart;
174 for(i = 0; i < nshellbatch; i++)
175 jend += Q.nprim12[cd+i];
176
177 // Clear the beginning of the workspace (where we are accumulating integrals)
178 memset(work, 0, SIMINT_NSHELL_SIMD * 25160 * sizeof(double));
179 abcd = 0;
180
181
182 for(i = istart; i < iend; ++i)
183 {
184 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
185
186 if(check_screen)
187 {
188 // Skip this whole thing if always insignificant
189 if((P.screen[i] * Q.screen_max) < screen_tol)
190 continue;
191 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
192 }
193
194 icd = 0;
195 iprimcd = 0;
196 nprim_icd = Q.nprim12[cd];
197 double * restrict PRIM_PTR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
198 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
199 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
200 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
201 double * restrict PRIM_PTR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
202 double * restrict PRIM_PTR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
203 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
204 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
205 double * restrict PRIM_PTR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
206 double * restrict PRIM_PTR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
207 double * restrict PRIM_PTR_INT__m_s_h_s = INT__m_s_h_s + abcd * 1155;
208 double * restrict PRIM_PTR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
209 double * restrict PRIM_PTR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
210 double * restrict PRIM_PTR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
211 double * restrict PRIM_PTR_INT__m_s_m_s = INT__m_s_m_s + abcd * 3025;
212
213
214
215 // Load these one per loop over i
216 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
217 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
218 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
219
220 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
221
222 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
223 {
224 // calculate the shell offsets
225 // these are the offset from the shell pointed to by cd
226 // for each element
227 int shelloffsets[SIMINT_SIMD_LEN] = {0};
228 int lastoffset = 0;
229 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
230
231 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
232 {
233 // Handle if the first element of the vector is a new shell
234 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
235 {
236 nprim_icd += Q.nprim12[cd + (++icd)];
237 PRIM_PTR_INT__k_s_h_s += 756;
238 PRIM_PTR_INT__k_s_i_s += 1008;
239 PRIM_PTR_INT__k_s_k_s += 1296;
240 PRIM_PTR_INT__k_s_l_s += 1620;
241 PRIM_PTR_INT__k_s_m_s += 1980;
242 PRIM_PTR_INT__l_s_h_s += 945;
243 PRIM_PTR_INT__l_s_i_s += 1260;
244 PRIM_PTR_INT__l_s_k_s += 1620;
245 PRIM_PTR_INT__l_s_l_s += 2025;
246 PRIM_PTR_INT__l_s_m_s += 2475;
247 PRIM_PTR_INT__m_s_h_s += 1155;
248 PRIM_PTR_INT__m_s_i_s += 1540;
249 PRIM_PTR_INT__m_s_k_s += 1980;
250 PRIM_PTR_INT__m_s_l_s += 2475;
251 PRIM_PTR_INT__m_s_m_s += 3025;
252 }
253 iprimcd++;
254 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
255 {
256 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
257 {
258 shelloffsets[n] = shelloffsets[n-1] + 1;
259 lastoffset++;
260 nprim_icd += Q.nprim12[cd + (++icd)];
261 }
262 else
263 shelloffsets[n] = shelloffsets[n-1];
264 iprimcd++;
265 }
266 }
267 else
268 iprimcd += SIMINT_SIMD_LEN;
269
270 // Do we have to compute this vector (or has it been screened out)?
271 // (not_screened != 0 means we have to do this vector)
272 if(check_screen)
273 {
274 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
275 if(vmax < screen_tol)
276 {
277 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
278 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
279 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
280 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
281 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
282 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
283 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
284 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
285 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
286 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
287 PRIM_PTR_INT__m_s_h_s += lastoffset*1155;
288 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
289 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
290 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
291 PRIM_PTR_INT__m_s_m_s += lastoffset*3025;
292 continue;
293 }
294 }
295
296 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
297 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
298 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
299 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
300
301
302 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
303 SIMINT_DBLTYPE PQ[3];
304 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
305 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
306 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
307 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
308 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
309 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
310
311 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
312 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
313 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
314 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
315 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
316 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
317 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
318
319 // NOTE: Minus sign!
320 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
321 SIMINT_DBLTYPE aop_PQ[3];
322 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
323 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
324 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
325
326 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
327 SIMINT_DBLTYPE aoq_PQ[3];
328 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
329 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
330 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
331 // Put a minus sign here so we don't have to in RR routines
332 a_over_q = SIMINT_NEG(a_over_q);
333
334
335 //////////////////////////////////////////////
336 // Fjt function section
337 // Maximum v value: 18
338 //////////////////////////////////////////////
339 // The parameter to the Fjt function
340 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
341
342
343 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
344
345
346 boys_F_split(PRIM_INT__s_s_s_s, F_x, 18);
347 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
348 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
349 for(n = 0; n <= 18; n++)
350 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
351
352 //////////////////////////////////////////////
353 // Primitive integrals: Vertical recurrance
354 //////////////////////////////////////////////
355
356 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
357 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
358 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
359 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
360 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
361 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
362 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
363 const SIMINT_DBLTYPE vrr_const_8_over_2p = SIMINT_MUL(const_8, one_over_2p);
364 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
365 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
366 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
367 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
368 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
369 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
370 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
371 const SIMINT_DBLTYPE vrr_const_8_over_2q = SIMINT_MUL(const_8, one_over_2q);
372 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
373 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
374 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
375 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
376 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
377 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
378 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
379 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
380 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
381
382
383
384 // Forming PRIM_INT__p_s_s_s[18 * 3];
385 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
386 {
387
388 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
389 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]);
390
391 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
392 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]);
393
394 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
395 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]);
396
397 }
398
399
400
401 // Forming PRIM_INT__d_s_s_s[17 * 6];
402 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
403 {
404
405 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
406 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]);
407 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]);
408
409 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
410 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]);
411
412 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
413 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]);
414
415 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
416 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]);
417 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]);
418
419 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
420 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]);
421
422 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
423 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]);
424 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]);
425
426 }
427
428
429
430 // Forming PRIM_INT__f_s_s_s[16 * 10];
431 for(n = 0; n < 16; ++n) // loop over orders of auxiliary function
432 {
433
434 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
435 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]);
436 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]);
437
438 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
439 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]);
440
441 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
442 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]);
443
444 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
445 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]);
446
447 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
448 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]);
449
450 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
451 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]);
452
453 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
454 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]);
455 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]);
456
457 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
458 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]);
459
460 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
461 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]);
462
463 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
464 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]);
465 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]);
466
467 }
468
469
470 VRR_I_g_s_s_s(
471 PRIM_INT__g_s_s_s,
472 PRIM_INT__f_s_s_s,
473 PRIM_INT__d_s_s_s,
474 P_PA,
475 a_over_p,
476 aop_PQ,
477 one_over_2p,
478 15);
479
480
481 VRR_I_h_s_s_s(
482 PRIM_INT__h_s_s_s,
483 PRIM_INT__g_s_s_s,
484 PRIM_INT__f_s_s_s,
485 P_PA,
486 a_over_p,
487 aop_PQ,
488 one_over_2p,
489 14);
490
491
492 ostei_general_vrr1_I(6, 13,
493 one_over_2p, a_over_p, aop_PQ, P_PA,
494 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
495
496
497 ostei_general_vrr1_I(7, 12,
498 one_over_2p, a_over_p, aop_PQ, P_PA,
499 PRIM_INT__i_s_s_s, PRIM_INT__h_s_s_s, PRIM_INT__k_s_s_s);
500
501
502 ostei_general_vrr_K(7, 0, 1, 0, 9,
503 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
504 PRIM_INT__k_s_s_s, NULL, NULL, PRIM_INT__i_s_s_s, NULL, PRIM_INT__k_s_p_s);
505
506
507 ostei_general_vrr_K(6, 0, 1, 0, 9,
508 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
509 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
510
511
512 ostei_general_vrr_K(7, 0, 2, 0, 8,
513 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
514 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);
515
516
517 ostei_general_vrr_K(5, 0, 1, 0, 9,
518 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
519 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
520
521
522 ostei_general_vrr_K(6, 0, 2, 0, 8,
523 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
524 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);
525
526
527 ostei_general_vrr_K(7, 0, 3, 0, 7,
528 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
529 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);
530
531
532 VRR_K_g_s_p_s(
533 PRIM_INT__g_s_p_s,
534 PRIM_INT__g_s_s_s,
535 PRIM_INT__f_s_s_s,
536 Q_PA,
537 aoq_PQ,
538 one_over_2pq,
539 9);
540
541
542 ostei_general_vrr_K(5, 0, 2, 0, 8,
543 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
544 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);
545
546
547 ostei_general_vrr_K(6, 0, 3, 0, 7,
548 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
549 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);
550
551
552 ostei_general_vrr_K(7, 0, 4, 0, 6,
553 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
554 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);
555
556
557 VRR_K_f_s_p_s(
558 PRIM_INT__f_s_p_s,
559 PRIM_INT__f_s_s_s,
560 PRIM_INT__d_s_s_s,
561 Q_PA,
562 aoq_PQ,
563 one_over_2pq,
564 9);
565
566
567 ostei_general_vrr_K(4, 0, 2, 0, 8,
568 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
569 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);
570
571
572 ostei_general_vrr_K(5, 0, 3, 0, 7,
573 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
574 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);
575
576
577 ostei_general_vrr_K(6, 0, 4, 0, 6,
578 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
579 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);
580
581
582 ostei_general_vrr_K(7, 0, 5, 0, 5,
583 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
584 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);
585
586
587
588 // Forming PRIM_INT__d_s_p_s[9 * 18];
589 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
590 {
591
592 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
593 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]);
594 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]);
595
596 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
597 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]);
598
599 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
600 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]);
601
602 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
603 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]);
604 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]);
605
606 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
607 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]);
608 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]);
609
610 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
611 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]);
612
613 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
614 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]);
615 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]);
616
617 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
618 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]);
619
620 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
621 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]);
622 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]);
623
624 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
625 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]);
626
627 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
628 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]);
629 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]);
630
631 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
632 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]);
633
634 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
635 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]);
636
637 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
638 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]);
639 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]);
640
641 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
642 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]);
643 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]);
644
645 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
646 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]);
647
648 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
649 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]);
650
651 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
652 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]);
653 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]);
654
655 }
656
657
658 VRR_K_f_s_d_s(
659 PRIM_INT__f_s_d_s,
660 PRIM_INT__f_s_p_s,
661 PRIM_INT__f_s_s_s,
662 PRIM_INT__d_s_p_s,
663 Q_PA,
664 a_over_q,
665 aoq_PQ,
666 one_over_2pq,
667 one_over_2q,
668 8);
669
670
671 ostei_general_vrr_K(4, 0, 3, 0, 7,
672 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
673 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);
674
675
676 ostei_general_vrr_K(5, 0, 4, 0, 6,
677 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
678 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);
679
680
681 ostei_general_vrr_K(6, 0, 5, 0, 5,
682 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
683 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);
684
685
686 ostei_general_vrr_K(7, 0, 6, 0, 4,
687 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
688 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);
689
690
691 ostei_general_vrr1_I(8, 11,
692 one_over_2p, a_over_p, aop_PQ, P_PA,
693 PRIM_INT__k_s_s_s, PRIM_INT__i_s_s_s, PRIM_INT__l_s_s_s);
694
695
696 ostei_general_vrr_K(8, 0, 1, 0, 9,
697 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
698 PRIM_INT__l_s_s_s, NULL, NULL, PRIM_INT__k_s_s_s, NULL, PRIM_INT__l_s_p_s);
699
700
701 ostei_general_vrr_K(8, 0, 2, 0, 8,
702 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
703 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);
704
705
706 ostei_general_vrr_K(8, 0, 3, 0, 7,
707 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
708 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);
709
710
711 ostei_general_vrr_K(8, 0, 4, 0, 6,
712 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
713 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);
714
715
716 ostei_general_vrr_K(8, 0, 5, 0, 5,
717 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
718 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);
719
720
721
722 // Forming PRIM_INT__p_s_p_s[9 * 9];
723 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
724 {
725
726 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
727 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]);
728 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]);
729
730 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
731 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]);
732
733 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
734 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]);
735
736 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
737 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]);
738
739 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
740 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]);
741 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]);
742
743 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
744 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]);
745
746 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
747 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]);
748
749 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
750 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]);
751
752 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
753 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]);
754 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]);
755
756 }
757
758
759 VRR_K_d_s_d_s(
760 PRIM_INT__d_s_d_s,
761 PRIM_INT__d_s_p_s,
762 PRIM_INT__d_s_s_s,
763 PRIM_INT__p_s_p_s,
764 Q_PA,
765 a_over_q,
766 aoq_PQ,
767 one_over_2pq,
768 one_over_2q,
769 8);
770
771
772 ostei_general_vrr_K(3, 0, 3, 0, 7,
773 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
774 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);
775
776
777 ostei_general_vrr_K(4, 0, 4, 0, 6,
778 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
779 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);
780
781
782 ostei_general_vrr_K(5, 0, 5, 0, 5,
783 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
784 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);
785
786
787 ostei_general_vrr_K(6, 0, 6, 0, 4,
788 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
789 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);
790
791
792 ostei_general_vrr_K(7, 0, 7, 0, 3,
793 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
794 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);
795
796
797 ostei_general_vrr_K(8, 0, 6, 0, 4,
798 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
799 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);
800
801
802 ostei_general_vrr1_I(9, 10,
803 one_over_2p, a_over_p, aop_PQ, P_PA,
804 PRIM_INT__l_s_s_s, PRIM_INT__k_s_s_s, PRIM_INT__m_s_s_s);
805
806
807 ostei_general_vrr_K(9, 0, 1, 0, 9,
808 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
809 PRIM_INT__m_s_s_s, NULL, NULL, PRIM_INT__l_s_s_s, NULL, PRIM_INT__m_s_p_s);
810
811
812 ostei_general_vrr_K(9, 0, 2, 0, 8,
813 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
814 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);
815
816
817 ostei_general_vrr_K(9, 0, 3, 0, 7,
818 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
819 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);
820
821
822 ostei_general_vrr_K(9, 0, 4, 0, 6,
823 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
824 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);
825
826
827 ostei_general_vrr_K(9, 0, 5, 0, 5,
828 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
829 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);
830
831
832
833 // Forming PRIM_INT__s_s_p_s[9 * 3];
834 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
835 {
836
837 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
838 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]);
839
840 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
841 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]);
842
843 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
844 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]);
845
846 }
847
848
849
850 // Forming PRIM_INT__p_s_d_s[8 * 18];
851 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
852 {
853
854 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
855 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]);
856 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]);
857 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]);
858
859 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
860 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]);
861 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]);
862
863 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
864 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]);
865 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]);
866
867 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
868 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]);
869 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]);
870
871 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
872 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]);
873 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]);
874 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]);
875
876 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
877 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]);
878 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]);
879
880 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
881 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]);
882 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]);
883
884 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
885 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]);
886 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]);
887
888 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
889 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]);
890 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]);
891 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]);
892
893 }
894
895
896 VRR_K_d_s_f_s(
897 PRIM_INT__d_s_f_s,
898 PRIM_INT__d_s_d_s,
899 PRIM_INT__d_s_p_s,
900 PRIM_INT__p_s_d_s,
901 Q_PA,
902 a_over_q,
903 aoq_PQ,
904 one_over_2pq,
905 one_over_2q,
906 7);
907
908
909 ostei_general_vrr_K(3, 0, 4, 0, 6,
910 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
911 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);
912
913
914 ostei_general_vrr_K(4, 0, 5, 0, 5,
915 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
916 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);
917
918
919 ostei_general_vrr_K(5, 0, 6, 0, 4,
920 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
921 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);
922
923
924 ostei_general_vrr_K(6, 0, 7, 0, 3,
925 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
926 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);
927
928
929 ostei_general_vrr_K(7, 0, 8, 0, 2,
930 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
931 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);
932
933
934 ostei_general_vrr_K(8, 0, 7, 0, 3,
935 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
936 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);
937
938
939 ostei_general_vrr_K(9, 0, 6, 0, 4,
940 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
941 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);
942
943
944
945 // Forming PRIM_INT__s_s_d_s[8 * 6];
946 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
947 {
948
949 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
950 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]);
951 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]);
952
953 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
954 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]);
955 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]);
956
957 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
958 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]);
959 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]);
960
961 }
962
963
964 VRR_K_p_s_f_s(
965 PRIM_INT__p_s_f_s,
966 PRIM_INT__p_s_d_s,
967 PRIM_INT__p_s_p_s,
968 PRIM_INT__s_s_d_s,
969 Q_PA,
970 a_over_q,
971 aoq_PQ,
972 one_over_2pq,
973 one_over_2q,
974 7);
975
976
977 ostei_general_vrr_K(2, 0, 4, 0, 6,
978 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
979 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);
980
981
982 ostei_general_vrr_K(3, 0, 5, 0, 5,
983 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
984 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);
985
986
987 ostei_general_vrr_K(4, 0, 6, 0, 4,
988 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
989 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);
990
991
992 ostei_general_vrr_K(5, 0, 7, 0, 3,
993 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
994 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);
995
996
997 ostei_general_vrr_K(6, 0, 8, 0, 2,
998 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
999 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);
1000
1001
1002 ostei_general_vrr_K(7, 0, 9, 0, 1,
1003 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1004 PRIM_INT__k_s_l_s, PRIM_INT__k_s_k_s, NULL, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_m_s);
1005
1006
1007 ostei_general_vrr_K(8, 0, 8, 0, 2,
1008 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1009 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);
1010
1011
1012 ostei_general_vrr_K(9, 0, 7, 0, 3,
1013 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1014 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);
1015
1016
1017 ostei_general_vrr_K(8, 0, 9, 0, 1,
1018 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1019 PRIM_INT__l_s_l_s, PRIM_INT__l_s_k_s, NULL, PRIM_INT__k_s_l_s, NULL, PRIM_INT__l_s_m_s);
1020
1021
1022 ostei_general_vrr_K(9, 0, 8, 0, 2,
1023 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1024 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);
1025
1026
1027 ostei_general_vrr_K(9, 0, 9, 0, 1,
1028 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1029 PRIM_INT__m_s_l_s, PRIM_INT__m_s_k_s, NULL, PRIM_INT__l_s_l_s, NULL, PRIM_INT__m_s_m_s);
1030
1031
1032
1033
1034 ////////////////////////////////////
1035 // Accumulate contracted integrals
1036 ////////////////////////////////////
1037 if(lastoffset == 0)
1038 {
1039 contract_all(756, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1040 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1041 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1042 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1043 contract_all(1980, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1044 contract_all(945, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1045 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1046 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1047 contract_all(2025, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1048 contract_all(2475, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1049 contract_all(1155, PRIM_INT__m_s_h_s, PRIM_PTR_INT__m_s_h_s);
1050 contract_all(1540, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
1051 contract_all(1980, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1052 contract_all(2475, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1053 contract_all(3025, PRIM_INT__m_s_m_s, PRIM_PTR_INT__m_s_m_s);
1054 }
1055 else
1056 {
1057 contract(756, shelloffsets, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1058 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1059 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1060 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1061 contract(1980, shelloffsets, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1062 contract(945, shelloffsets, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1063 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1064 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1065 contract(2025, shelloffsets, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1066 contract(2475, shelloffsets, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1067 contract(1155, shelloffsets, PRIM_INT__m_s_h_s, PRIM_PTR_INT__m_s_h_s);
1068 contract(1540, shelloffsets, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
1069 contract(1980, shelloffsets, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1070 contract(2475, shelloffsets, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1071 contract(3025, shelloffsets, PRIM_INT__m_s_m_s, PRIM_PTR_INT__m_s_m_s);
1072 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
1073 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
1074 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1075 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
1076 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
1077 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
1078 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
1079 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1080 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
1081 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
1082 PRIM_PTR_INT__m_s_h_s += lastoffset*1155;
1083 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
1084 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
1085 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
1086 PRIM_PTR_INT__m_s_m_s += lastoffset*3025;
1087 }
1088
1089 } // close loop over j
1090 } // close loop over i
1091
1092 //Advance to the next batch
1093 jstart = SIMINT_SIMD_ROUND(jend);
1094
1095 //////////////////////////////////////////////
1096 // Contracted integrals: Horizontal recurrance
1097 //////////////////////////////////////////////
1098
1099
1100 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1101
1102
1103 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1104 {
1105 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1106
1107 // set up HRR pointers
1108 double const * restrict HRR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
1109 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
1110 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1111 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
1112 double const * restrict HRR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
1113 double const * restrict HRR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
1114 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
1115 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1116 double const * restrict HRR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
1117 double const * restrict HRR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
1118 double const * restrict HRR_INT__m_s_h_s = INT__m_s_h_s + abcd * 1155;
1119 double const * restrict HRR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
1120 double const * restrict HRR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
1121 double const * restrict HRR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
1122 double const * restrict HRR_INT__m_s_m_s = INT__m_s_m_s + abcd * 3025;
1123 double * restrict HRR_INT__k_d_h_g = INT__k_d_h_g + real_abcd * 68040;
1124
1125 // form INT__k_p_h_s
1126 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);
1127
1128 // form INT__k_p_i_s
1129 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);
1130
1131 // form INT__k_p_k_s
1132 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);
1133
1134 // form INT__k_p_l_s
1135 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);
1136
1137 // form INT__k_p_m_s
1138 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);
1139
1140 // form INT__l_p_h_s
1141 ostei_general_hrr_J(8, 1, 5, 0, hAB, HRR_INT__m_s_h_s, HRR_INT__l_s_h_s, HRR_INT__l_p_h_s);
1142
1143 // form INT__l_p_i_s
1144 ostei_general_hrr_J(8, 1, 6, 0, hAB, HRR_INT__m_s_i_s, HRR_INT__l_s_i_s, HRR_INT__l_p_i_s);
1145
1146 // form INT__l_p_k_s
1147 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);
1148
1149 // form INT__l_p_l_s
1150 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);
1151
1152 // form INT__l_p_m_s
1153 ostei_general_hrr_J(8, 1, 9, 0, hAB, HRR_INT__m_s_m_s, HRR_INT__l_s_m_s, HRR_INT__l_p_m_s);
1154
1155 // form INT__k_d_h_s
1156 ostei_general_hrr_J(7, 2, 5, 0, hAB, HRR_INT__l_p_h_s, HRR_INT__k_p_h_s, HRR_INT__k_d_h_s);
1157
1158 // form INT__k_d_i_s
1159 ostei_general_hrr_J(7, 2, 6, 0, hAB, HRR_INT__l_p_i_s, HRR_INT__k_p_i_s, HRR_INT__k_d_i_s);
1160
1161 // form INT__k_d_k_s
1162 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);
1163
1164 // form INT__k_d_l_s
1165 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);
1166
1167 // form INT__k_d_m_s
1168 ostei_general_hrr_J(7, 2, 9, 0, hAB, HRR_INT__l_p_m_s, HRR_INT__k_p_m_s, HRR_INT__k_d_m_s);
1169
1170 // form INT__k_d_h_p
1171 ostei_general_hrr_L(7, 2, 5, 1, hCD, HRR_INT__k_d_i_s, HRR_INT__k_d_h_s, HRR_INT__k_d_h_p);
1172
1173 // form INT__k_d_i_p
1174 ostei_general_hrr_L(7, 2, 6, 1, hCD, HRR_INT__k_d_k_s, HRR_INT__k_d_i_s, HRR_INT__k_d_i_p);
1175
1176 // form INT__k_d_k_p
1177 ostei_general_hrr_L(7, 2, 7, 1, hCD, HRR_INT__k_d_l_s, HRR_INT__k_d_k_s, HRR_INT__k_d_k_p);
1178
1179 // form INT__k_d_l_p
1180 ostei_general_hrr_L(7, 2, 8, 1, hCD, HRR_INT__k_d_m_s, HRR_INT__k_d_l_s, HRR_INT__k_d_l_p);
1181
1182 // form INT__k_d_h_d
1183 ostei_general_hrr_L(7, 2, 5, 2, hCD, HRR_INT__k_d_i_p, HRR_INT__k_d_h_p, HRR_INT__k_d_h_d);
1184
1185 // form INT__k_d_i_d
1186 ostei_general_hrr_L(7, 2, 6, 2, hCD, HRR_INT__k_d_k_p, HRR_INT__k_d_i_p, HRR_INT__k_d_i_d);
1187
1188 // form INT__k_d_k_d
1189 ostei_general_hrr_L(7, 2, 7, 2, hCD, HRR_INT__k_d_l_p, HRR_INT__k_d_k_p, HRR_INT__k_d_k_d);
1190
1191 // form INT__k_d_h_f
1192 ostei_general_hrr_L(7, 2, 5, 3, hCD, HRR_INT__k_d_i_d, HRR_INT__k_d_h_d, HRR_INT__k_d_h_f);
1193
1194 // form INT__k_d_i_f
1195 ostei_general_hrr_L(7, 2, 6, 3, hCD, HRR_INT__k_d_k_d, HRR_INT__k_d_i_d, HRR_INT__k_d_i_f);
1196
1197 // form INT__k_d_h_g
1198 ostei_general_hrr_L(7, 2, 5, 4, hCD, HRR_INT__k_d_i_f, HRR_INT__k_d_h_f, HRR_INT__k_d_h_g);
1199
1200
1201 } // close HRR loop
1202
1203
1204 } // close loop cdbatch
1205
1206 istart = iend;
1207 } // close loop over ab
1208
1209 return P.nshell12_clip * Q.nshell12_clip;
1210 }
1211
ostei_d_k_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__d_k_h_g)1212 int ostei_d_k_h_g(struct simint_multi_shellpair const P,
1213 struct simint_multi_shellpair const Q,
1214 double screen_tol,
1215 double * const restrict work,
1216 double * const restrict INT__d_k_h_g)
1217 {
1218 double P_AB[3*P.nshell12];
1219 struct simint_multi_shellpair P_tmp = P;
1220 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1221 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1222 P_tmp.AB_x = P_AB;
1223 P_tmp.AB_y = P_AB + P.nshell12;
1224 P_tmp.AB_z = P_AB + 2*P.nshell12;
1225
1226 for(int i = 0; i < P.nshell12; i++)
1227 {
1228 P_tmp.AB_x[i] = -P.AB_x[i];
1229 P_tmp.AB_y[i] = -P.AB_y[i];
1230 P_tmp.AB_z[i] = -P.AB_z[i];
1231 }
1232
1233 int ret = ostei_k_d_h_g(P_tmp, Q, screen_tol, work, INT__d_k_h_g);
1234 double buffer[68040] SIMINT_ALIGN_ARRAY_DBL;
1235
1236 for(int q = 0; q < ret; q++)
1237 {
1238 int idx = 0;
1239 for(int a = 0; a < 6; ++a)
1240 for(int b = 0; b < 36; ++b)
1241 for(int c = 0; c < 21; ++c)
1242 for(int d = 0; d < 15; ++d)
1243 buffer[idx++] = INT__d_k_h_g[q*68040+b*1890+a*315+c*15+d];
1244
1245 memcpy(INT__d_k_h_g+q*68040, buffer, 68040*sizeof(double));
1246 }
1247
1248 return ret;
1249 }
1250
ostei_k_d_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__k_d_g_h)1251 int ostei_k_d_g_h(struct simint_multi_shellpair const P,
1252 struct simint_multi_shellpair const Q,
1253 double screen_tol,
1254 double * const restrict work,
1255 double * const restrict INT__k_d_g_h)
1256 {
1257 double Q_AB[3*Q.nshell12];
1258 struct simint_multi_shellpair Q_tmp = Q;
1259 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1260 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1261 Q_tmp.AB_x = Q_AB;
1262 Q_tmp.AB_y = Q_AB + Q.nshell12;
1263 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1264
1265 for(int i = 0; i < Q.nshell12; i++)
1266 {
1267 Q_tmp.AB_x[i] = -Q.AB_x[i];
1268 Q_tmp.AB_y[i] = -Q.AB_y[i];
1269 Q_tmp.AB_z[i] = -Q.AB_z[i];
1270 }
1271
1272 int ret = ostei_k_d_h_g(P, Q_tmp, screen_tol, work, INT__k_d_g_h);
1273 double buffer[68040] SIMINT_ALIGN_ARRAY_DBL;
1274
1275 for(int q = 0; q < ret; q++)
1276 {
1277 int idx = 0;
1278 for(int a = 0; a < 36; ++a)
1279 for(int b = 0; b < 6; ++b)
1280 for(int c = 0; c < 15; ++c)
1281 for(int d = 0; d < 21; ++d)
1282 buffer[idx++] = INT__k_d_g_h[q*68040+a*1890+b*315+d*15+c];
1283
1284 memcpy(INT__k_d_g_h+q*68040, buffer, 68040*sizeof(double));
1285 }
1286
1287 return ret;
1288 }
1289
ostei_d_k_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__d_k_g_h)1290 int ostei_d_k_g_h(struct simint_multi_shellpair const P,
1291 struct simint_multi_shellpair const Q,
1292 double screen_tol,
1293 double * const restrict work,
1294 double * const restrict INT__d_k_g_h)
1295 {
1296 double P_AB[3*P.nshell12];
1297 struct simint_multi_shellpair P_tmp = P;
1298 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1299 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1300 P_tmp.AB_x = P_AB;
1301 P_tmp.AB_y = P_AB + P.nshell12;
1302 P_tmp.AB_z = P_AB + 2*P.nshell12;
1303
1304 for(int i = 0; i < P.nshell12; i++)
1305 {
1306 P_tmp.AB_x[i] = -P.AB_x[i];
1307 P_tmp.AB_y[i] = -P.AB_y[i];
1308 P_tmp.AB_z[i] = -P.AB_z[i];
1309 }
1310
1311 double Q_AB[3*Q.nshell12];
1312 struct simint_multi_shellpair Q_tmp = Q;
1313 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1314 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1315 Q_tmp.AB_x = Q_AB;
1316 Q_tmp.AB_y = Q_AB + Q.nshell12;
1317 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1318
1319 for(int i = 0; i < Q.nshell12; i++)
1320 {
1321 Q_tmp.AB_x[i] = -Q.AB_x[i];
1322 Q_tmp.AB_y[i] = -Q.AB_y[i];
1323 Q_tmp.AB_z[i] = -Q.AB_z[i];
1324 }
1325
1326 int ret = ostei_k_d_h_g(P_tmp, Q_tmp, screen_tol, work, INT__d_k_g_h);
1327 double buffer[68040] SIMINT_ALIGN_ARRAY_DBL;
1328
1329 for(int q = 0; q < ret; q++)
1330 {
1331 int idx = 0;
1332 for(int a = 0; a < 6; ++a)
1333 for(int b = 0; b < 36; ++b)
1334 for(int c = 0; c < 15; ++c)
1335 for(int d = 0; d < 21; ++d)
1336 buffer[idx++] = INT__d_k_g_h[q*68040+b*1890+a*315+d*15+c];
1337
1338 memcpy(INT__d_k_g_h+q*68040, buffer, 68040*sizeof(double));
1339 }
1340
1341 return ret;
1342 }
1343
1344