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_f_f_d_d(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_f_d_d)8 int ostei_f_f_d_d(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__f_f_d_d)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__f_f_d_d);
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__f_s_d_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__f_s_f_s = work + (SIMINT_NSHELL_SIMD * 60);
31 double * const INT__f_s_g_s = work + (SIMINT_NSHELL_SIMD * 160);
32 double * const INT__g_s_d_s = work + (SIMINT_NSHELL_SIMD * 310);
33 double * const INT__g_s_f_s = work + (SIMINT_NSHELL_SIMD * 400);
34 double * const INT__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 550);
35 double * const INT__h_s_d_s = work + (SIMINT_NSHELL_SIMD * 775);
36 double * const INT__h_s_f_s = work + (SIMINT_NSHELL_SIMD * 901);
37 double * const INT__h_s_g_s = work + (SIMINT_NSHELL_SIMD * 1111);
38 double * const INT__i_s_d_s = work + (SIMINT_NSHELL_SIMD * 1426);
39 double * const INT__i_s_f_s = work + (SIMINT_NSHELL_SIMD * 1594);
40 double * const INT__i_s_g_s = work + (SIMINT_NSHELL_SIMD * 1874);
41 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*2294);
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 + 11;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 23;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 53;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 89;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 143;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 197;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 269;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 377;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 497;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 577;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 697;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 877;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 1077;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 1227;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 1332;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 1512;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 1782;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 2082;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 2307;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 2433;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 2685;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 3063;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 3483;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 3798;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 3938;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 4274;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 4778;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 5338;
71 double * const hrrwork = (double *)(primwork + 5758);
72 double * const HRR_INT__f_p_d_s = hrrwork + 0;
73 double * const HRR_INT__f_p_f_s = hrrwork + 180;
74 double * const HRR_INT__f_p_g_s = hrrwork + 480;
75 double * const HRR_INT__f_d_d_s = hrrwork + 930;
76 double * const HRR_INT__f_d_f_s = hrrwork + 1290;
77 double * const HRR_INT__f_d_g_s = hrrwork + 1890;
78 double * const HRR_INT__f_f_d_s = hrrwork + 2790;
79 double * const HRR_INT__f_f_d_p = hrrwork + 3390;
80 double * const HRR_INT__f_f_f_s = hrrwork + 5190;
81 double * const HRR_INT__f_f_f_p = hrrwork + 6190;
82 double * const HRR_INT__f_f_g_s = hrrwork + 9190;
83 double * const HRR_INT__g_p_d_s = hrrwork + 10690;
84 double * const HRR_INT__g_p_f_s = hrrwork + 10960;
85 double * const HRR_INT__g_p_g_s = hrrwork + 11410;
86 double * const HRR_INT__g_d_d_s = hrrwork + 12085;
87 double * const HRR_INT__g_d_f_s = hrrwork + 12625;
88 double * const HRR_INT__g_d_g_s = hrrwork + 13525;
89 double * const HRR_INT__h_p_d_s = hrrwork + 14875;
90 double * const HRR_INT__h_p_f_s = hrrwork + 15253;
91 double * const HRR_INT__h_p_g_s = hrrwork + 15883;
92
93
94 // Create constants
95 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
96 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
97 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
98 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
99 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
100 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
101 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
102
103
104 ////////////////////////////////////////
105 // Loop over shells and primitives
106 ////////////////////////////////////////
107
108 real_abcd = 0;
109 istart = 0;
110 for(ab = 0; ab < P.nshell12_clip; ++ab)
111 {
112 const int iend = istart + P.nprim12[ab];
113
114 cd = 0;
115 jstart = 0;
116
117 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
118 {
119 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
120 int jend = jstart;
121 for(i = 0; i < nshellbatch; i++)
122 jend += Q.nprim12[cd+i];
123
124 // Clear the beginning of the workspace (where we are accumulating integrals)
125 memset(work, 0, SIMINT_NSHELL_SIMD * 2294 * sizeof(double));
126 abcd = 0;
127
128
129 for(i = istart; i < iend; ++i)
130 {
131 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
132
133 if(check_screen)
134 {
135 // Skip this whole thing if always insignificant
136 if((P.screen[i] * Q.screen_max) < screen_tol)
137 continue;
138 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
139 }
140
141 icd = 0;
142 iprimcd = 0;
143 nprim_icd = Q.nprim12[cd];
144 double * restrict PRIM_PTR_INT__f_s_d_s = INT__f_s_d_s + abcd * 60;
145 double * restrict PRIM_PTR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
146 double * restrict PRIM_PTR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
147 double * restrict PRIM_PTR_INT__g_s_d_s = INT__g_s_d_s + abcd * 90;
148 double * restrict PRIM_PTR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
149 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
150 double * restrict PRIM_PTR_INT__h_s_d_s = INT__h_s_d_s + abcd * 126;
151 double * restrict PRIM_PTR_INT__h_s_f_s = INT__h_s_f_s + abcd * 210;
152 double * restrict PRIM_PTR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
153 double * restrict PRIM_PTR_INT__i_s_d_s = INT__i_s_d_s + abcd * 168;
154 double * restrict PRIM_PTR_INT__i_s_f_s = INT__i_s_f_s + abcd * 280;
155 double * restrict PRIM_PTR_INT__i_s_g_s = INT__i_s_g_s + abcd * 420;
156
157
158
159 // Load these one per loop over i
160 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
161 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
162 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
163
164 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
165
166 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
167 {
168 // calculate the shell offsets
169 // these are the offset from the shell pointed to by cd
170 // for each element
171 int shelloffsets[SIMINT_SIMD_LEN] = {0};
172 int lastoffset = 0;
173 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
174
175 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
176 {
177 // Handle if the first element of the vector is a new shell
178 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
179 {
180 nprim_icd += Q.nprim12[cd + (++icd)];
181 PRIM_PTR_INT__f_s_d_s += 60;
182 PRIM_PTR_INT__f_s_f_s += 100;
183 PRIM_PTR_INT__f_s_g_s += 150;
184 PRIM_PTR_INT__g_s_d_s += 90;
185 PRIM_PTR_INT__g_s_f_s += 150;
186 PRIM_PTR_INT__g_s_g_s += 225;
187 PRIM_PTR_INT__h_s_d_s += 126;
188 PRIM_PTR_INT__h_s_f_s += 210;
189 PRIM_PTR_INT__h_s_g_s += 315;
190 PRIM_PTR_INT__i_s_d_s += 168;
191 PRIM_PTR_INT__i_s_f_s += 280;
192 PRIM_PTR_INT__i_s_g_s += 420;
193 }
194 iprimcd++;
195 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
196 {
197 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
198 {
199 shelloffsets[n] = shelloffsets[n-1] + 1;
200 lastoffset++;
201 nprim_icd += Q.nprim12[cd + (++icd)];
202 }
203 else
204 shelloffsets[n] = shelloffsets[n-1];
205 iprimcd++;
206 }
207 }
208 else
209 iprimcd += SIMINT_SIMD_LEN;
210
211 // Do we have to compute this vector (or has it been screened out)?
212 // (not_screened != 0 means we have to do this vector)
213 if(check_screen)
214 {
215 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
216 if(vmax < screen_tol)
217 {
218 PRIM_PTR_INT__f_s_d_s += lastoffset*60;
219 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
220 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
221 PRIM_PTR_INT__g_s_d_s += lastoffset*90;
222 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
223 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
224 PRIM_PTR_INT__h_s_d_s += lastoffset*126;
225 PRIM_PTR_INT__h_s_f_s += lastoffset*210;
226 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
227 PRIM_PTR_INT__i_s_d_s += lastoffset*168;
228 PRIM_PTR_INT__i_s_f_s += lastoffset*280;
229 PRIM_PTR_INT__i_s_g_s += lastoffset*420;
230 continue;
231 }
232 }
233
234 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
235 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
236 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
237 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
238
239
240 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
241 SIMINT_DBLTYPE PQ[3];
242 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
243 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
244 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
245 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
246 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
247 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
248
249 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
250 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
251 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
252 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
253 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
254 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
255 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
256
257 // NOTE: Minus sign!
258 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
259 SIMINT_DBLTYPE aop_PQ[3];
260 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
261 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
262 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
263
264 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
265 SIMINT_DBLTYPE aoq_PQ[3];
266 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
267 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
268 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
269 // Put a minus sign here so we don't have to in RR routines
270 a_over_q = SIMINT_NEG(a_over_q);
271
272
273 //////////////////////////////////////////////
274 // Fjt function section
275 // Maximum v value: 10
276 //////////////////////////////////////////////
277 // The parameter to the Fjt function
278 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
279
280
281 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
282
283
284 boys_F_split(PRIM_INT__s_s_s_s, F_x, 10);
285 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
286 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
287 for(n = 0; n <= 10; n++)
288 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
289
290 //////////////////////////////////////////////
291 // Primitive integrals: Vertical recurrance
292 //////////////////////////////////////////////
293
294 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
295 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
296 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
297 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
298 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
299 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
300 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
301 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
302 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
303 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
304 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
305 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
306 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
307 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
308
309
310
311 // Forming PRIM_INT__p_s_s_s[10 * 3];
312 for(n = 0; n < 10; ++n) // loop over orders of auxiliary function
313 {
314
315 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
316 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]);
317
318 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
319 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]);
320
321 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
322 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]);
323
324 }
325
326
327
328 // Forming PRIM_INT__d_s_s_s[9 * 6];
329 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
330 {
331
332 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
333 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]);
334 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]);
335
336 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
337 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]);
338
339 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
340 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]);
341
342 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
343 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]);
344 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]);
345
346 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
347 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]);
348
349 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
350 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]);
351 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]);
352
353 }
354
355
356
357 // Forming PRIM_INT__f_s_s_s[8 * 10];
358 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
359 {
360
361 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
362 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]);
363 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]);
364
365 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
366 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]);
367
368 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
369 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]);
370
371 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
372 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]);
373
374 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
375 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]);
376
377 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
378 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]);
379
380 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
381 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]);
382 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]);
383
384 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
385 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]);
386
387 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
388 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]);
389
390 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
391 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]);
392 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]);
393
394 }
395
396
397 VRR_K_f_s_p_s(
398 PRIM_INT__f_s_p_s,
399 PRIM_INT__f_s_s_s,
400 PRIM_INT__d_s_s_s,
401 Q_PA,
402 aoq_PQ,
403 one_over_2pq,
404 4);
405
406
407
408 // Forming PRIM_INT__d_s_p_s[4 * 18];
409 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
410 {
411
412 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
413 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]);
414 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]);
415
416 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
417 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]);
418
419 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
420 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]);
421
422 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
423 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]);
424 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]);
425
426 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
427 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]);
428 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]);
429
430 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
431 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]);
432
433 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
434 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]);
435 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]);
436
437 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
438 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]);
439
440 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
441 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]);
442 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]);
443
444 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
445 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]);
446
447 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
448 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]);
449 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]);
450
451 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
452 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]);
453
454 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
455 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]);
456
457 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
458 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]);
459 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]);
460
461 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
462 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]);
463 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]);
464
465 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
466 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]);
467
468 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
469 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]);
470
471 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
472 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]);
473 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]);
474
475 }
476
477
478 VRR_K_f_s_d_s(
479 PRIM_INT__f_s_d_s,
480 PRIM_INT__f_s_p_s,
481 PRIM_INT__f_s_s_s,
482 PRIM_INT__d_s_p_s,
483 Q_PA,
484 a_over_q,
485 aoq_PQ,
486 one_over_2pq,
487 one_over_2q,
488 3);
489
490
491
492 // Forming PRIM_INT__p_s_p_s[4 * 9];
493 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
494 {
495
496 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
497 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]);
498 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]);
499
500 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
501 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]);
502
503 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
504 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]);
505
506 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
507 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]);
508
509 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
510 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]);
511 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]);
512
513 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
514 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]);
515
516 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
517 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]);
518
519 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
520 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]);
521
522 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
523 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]);
524 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]);
525
526 }
527
528
529 VRR_K_d_s_d_s(
530 PRIM_INT__d_s_d_s,
531 PRIM_INT__d_s_p_s,
532 PRIM_INT__d_s_s_s,
533 PRIM_INT__p_s_p_s,
534 Q_PA,
535 a_over_q,
536 aoq_PQ,
537 one_over_2pq,
538 one_over_2q,
539 3);
540
541
542 ostei_general_vrr_K(3, 0, 3, 0, 2,
543 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
544 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);
545
546
547 VRR_I_g_s_s_s(
548 PRIM_INT__g_s_s_s,
549 PRIM_INT__f_s_s_s,
550 PRIM_INT__d_s_s_s,
551 P_PA,
552 a_over_p,
553 aop_PQ,
554 one_over_2p,
555 7);
556
557
558 VRR_K_g_s_p_s(
559 PRIM_INT__g_s_p_s,
560 PRIM_INT__g_s_s_s,
561 PRIM_INT__f_s_s_s,
562 Q_PA,
563 aoq_PQ,
564 one_over_2pq,
565 4);
566
567
568 ostei_general_vrr_K(4, 0, 2, 0, 3,
569 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
570 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);
571
572
573
574 // Forming PRIM_INT__s_s_p_s[4 * 3];
575 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
576 {
577
578 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
579 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]);
580
581 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
582 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]);
583
584 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
585 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]);
586
587 }
588
589
590
591 // Forming PRIM_INT__p_s_d_s[3 * 18];
592 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
593 {
594
595 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
596 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]);
597 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]);
598 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]);
599
600 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
601 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]);
602 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]);
603
604 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
605 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]);
606 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]);
607
608 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
609 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]);
610 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]);
611
612 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
613 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]);
614 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]);
615 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]);
616
617 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
618 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]);
619 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]);
620
621 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
622 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]);
623 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]);
624
625 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
626 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]);
627 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]);
628
629 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
630 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]);
631 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]);
632 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]);
633
634 }
635
636
637 VRR_K_d_s_f_s(
638 PRIM_INT__d_s_f_s,
639 PRIM_INT__d_s_d_s,
640 PRIM_INT__d_s_p_s,
641 PRIM_INT__p_s_d_s,
642 Q_PA,
643 a_over_q,
644 aoq_PQ,
645 one_over_2pq,
646 one_over_2q,
647 2);
648
649
650 ostei_general_vrr_K(3, 0, 4, 0, 1,
651 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
652 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);
653
654
655 ostei_general_vrr_K(4, 0, 3, 0, 2,
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 VRR_I_h_s_s_s(
661 PRIM_INT__h_s_s_s,
662 PRIM_INT__g_s_s_s,
663 PRIM_INT__f_s_s_s,
664 P_PA,
665 a_over_p,
666 aop_PQ,
667 one_over_2p,
668 6);
669
670
671 ostei_general_vrr_K(5, 0, 1, 0, 4,
672 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
673 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
674
675
676 ostei_general_vrr_K(5, 0, 2, 0, 3,
677 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
678 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);
679
680
681 ostei_general_vrr_K(4, 0, 4, 0, 1,
682 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
683 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);
684
685
686 ostei_general_vrr_K(5, 0, 3, 0, 2,
687 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
688 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);
689
690
691 ostei_general_vrr1_I(6, 5,
692 one_over_2p, a_over_p, aop_PQ, P_PA,
693 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
694
695
696 ostei_general_vrr_K(6, 0, 1, 0, 4,
697 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
698 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
699
700
701 ostei_general_vrr_K(6, 0, 2, 0, 3,
702 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
703 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);
704
705
706 ostei_general_vrr_K(5, 0, 4, 0, 1,
707 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
708 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);
709
710
711 ostei_general_vrr_K(6, 0, 3, 0, 2,
712 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
713 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);
714
715
716 ostei_general_vrr_K(6, 0, 4, 0, 1,
717 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
718 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);
719
720
721
722
723 ////////////////////////////////////
724 // Accumulate contracted integrals
725 ////////////////////////////////////
726 if(lastoffset == 0)
727 {
728 contract_all(60, PRIM_INT__f_s_d_s, PRIM_PTR_INT__f_s_d_s);
729 contract_all(100, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
730 contract_all(150, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
731 contract_all(90, PRIM_INT__g_s_d_s, PRIM_PTR_INT__g_s_d_s);
732 contract_all(150, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
733 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
734 contract_all(126, PRIM_INT__h_s_d_s, PRIM_PTR_INT__h_s_d_s);
735 contract_all(210, PRIM_INT__h_s_f_s, PRIM_PTR_INT__h_s_f_s);
736 contract_all(315, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
737 contract_all(168, PRIM_INT__i_s_d_s, PRIM_PTR_INT__i_s_d_s);
738 contract_all(280, PRIM_INT__i_s_f_s, PRIM_PTR_INT__i_s_f_s);
739 contract_all(420, PRIM_INT__i_s_g_s, PRIM_PTR_INT__i_s_g_s);
740 }
741 else
742 {
743 contract(60, shelloffsets, PRIM_INT__f_s_d_s, PRIM_PTR_INT__f_s_d_s);
744 contract(100, shelloffsets, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
745 contract(150, shelloffsets, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
746 contract(90, shelloffsets, PRIM_INT__g_s_d_s, PRIM_PTR_INT__g_s_d_s);
747 contract(150, shelloffsets, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
748 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
749 contract(126, shelloffsets, PRIM_INT__h_s_d_s, PRIM_PTR_INT__h_s_d_s);
750 contract(210, shelloffsets, PRIM_INT__h_s_f_s, PRIM_PTR_INT__h_s_f_s);
751 contract(315, shelloffsets, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
752 contract(168, shelloffsets, PRIM_INT__i_s_d_s, PRIM_PTR_INT__i_s_d_s);
753 contract(280, shelloffsets, PRIM_INT__i_s_f_s, PRIM_PTR_INT__i_s_f_s);
754 contract(420, shelloffsets, PRIM_INT__i_s_g_s, PRIM_PTR_INT__i_s_g_s);
755 PRIM_PTR_INT__f_s_d_s += lastoffset*60;
756 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
757 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
758 PRIM_PTR_INT__g_s_d_s += lastoffset*90;
759 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
760 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
761 PRIM_PTR_INT__h_s_d_s += lastoffset*126;
762 PRIM_PTR_INT__h_s_f_s += lastoffset*210;
763 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
764 PRIM_PTR_INT__i_s_d_s += lastoffset*168;
765 PRIM_PTR_INT__i_s_f_s += lastoffset*280;
766 PRIM_PTR_INT__i_s_g_s += lastoffset*420;
767 }
768
769 } // close loop over j
770 } // close loop over i
771
772 //Advance to the next batch
773 jstart = SIMINT_SIMD_ROUND(jend);
774
775 //////////////////////////////////////////////
776 // Contracted integrals: Horizontal recurrance
777 //////////////////////////////////////////////
778
779
780 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
781
782
783 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
784 {
785 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
786
787 // set up HRR pointers
788 double const * restrict HRR_INT__f_s_d_s = INT__f_s_d_s + abcd * 60;
789 double const * restrict HRR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
790 double const * restrict HRR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
791 double const * restrict HRR_INT__g_s_d_s = INT__g_s_d_s + abcd * 90;
792 double const * restrict HRR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
793 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
794 double const * restrict HRR_INT__h_s_d_s = INT__h_s_d_s + abcd * 126;
795 double const * restrict HRR_INT__h_s_f_s = INT__h_s_f_s + abcd * 210;
796 double const * restrict HRR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
797 double const * restrict HRR_INT__i_s_d_s = INT__i_s_d_s + abcd * 168;
798 double const * restrict HRR_INT__i_s_f_s = INT__i_s_f_s + abcd * 280;
799 double const * restrict HRR_INT__i_s_g_s = INT__i_s_g_s + abcd * 420;
800 double * restrict HRR_INT__f_f_d_d = INT__f_f_d_d + real_abcd * 3600;
801
802 // form INT__f_p_d_s
803 HRR_J_f_p(
804 HRR_INT__f_p_d_s,
805 HRR_INT__f_s_d_s,
806 HRR_INT__g_s_d_s,
807 hAB, 6);
808
809 // form INT__f_p_f_s
810 HRR_J_f_p(
811 HRR_INT__f_p_f_s,
812 HRR_INT__f_s_f_s,
813 HRR_INT__g_s_f_s,
814 hAB, 10);
815
816 // form INT__f_p_g_s
817 HRR_J_f_p(
818 HRR_INT__f_p_g_s,
819 HRR_INT__f_s_g_s,
820 HRR_INT__g_s_g_s,
821 hAB, 15);
822
823 // form INT__g_p_d_s
824 HRR_J_g_p(
825 HRR_INT__g_p_d_s,
826 HRR_INT__g_s_d_s,
827 HRR_INT__h_s_d_s,
828 hAB, 6);
829
830 // form INT__g_p_f_s
831 HRR_J_g_p(
832 HRR_INT__g_p_f_s,
833 HRR_INT__g_s_f_s,
834 HRR_INT__h_s_f_s,
835 hAB, 10);
836
837 // form INT__g_p_g_s
838 HRR_J_g_p(
839 HRR_INT__g_p_g_s,
840 HRR_INT__g_s_g_s,
841 HRR_INT__h_s_g_s,
842 hAB, 15);
843
844 // form INT__h_p_d_s
845 ostei_general_hrr_J(5, 1, 2, 0, hAB, HRR_INT__i_s_d_s, HRR_INT__h_s_d_s, HRR_INT__h_p_d_s);
846
847 // form INT__h_p_f_s
848 ostei_general_hrr_J(5, 1, 3, 0, hAB, HRR_INT__i_s_f_s, HRR_INT__h_s_f_s, HRR_INT__h_p_f_s);
849
850 // form INT__h_p_g_s
851 ostei_general_hrr_J(5, 1, 4, 0, hAB, HRR_INT__i_s_g_s, HRR_INT__h_s_g_s, HRR_INT__h_p_g_s);
852
853 // form INT__f_d_d_s
854 HRR_J_f_d(
855 HRR_INT__f_d_d_s,
856 HRR_INT__f_p_d_s,
857 HRR_INT__g_p_d_s,
858 hAB, 6);
859
860 // form INT__f_d_f_s
861 HRR_J_f_d(
862 HRR_INT__f_d_f_s,
863 HRR_INT__f_p_f_s,
864 HRR_INT__g_p_f_s,
865 hAB, 10);
866
867 // form INT__f_d_g_s
868 HRR_J_f_d(
869 HRR_INT__f_d_g_s,
870 HRR_INT__f_p_g_s,
871 HRR_INT__g_p_g_s,
872 hAB, 15);
873
874 // form INT__g_d_d_s
875 ostei_general_hrr_J(4, 2, 2, 0, hAB, HRR_INT__h_p_d_s, HRR_INT__g_p_d_s, HRR_INT__g_d_d_s);
876
877 // form INT__g_d_f_s
878 ostei_general_hrr_J(4, 2, 3, 0, hAB, HRR_INT__h_p_f_s, HRR_INT__g_p_f_s, HRR_INT__g_d_f_s);
879
880 // form INT__g_d_g_s
881 ostei_general_hrr_J(4, 2, 4, 0, hAB, HRR_INT__h_p_g_s, HRR_INT__g_p_g_s, HRR_INT__g_d_g_s);
882
883 // form INT__f_f_d_s
884 ostei_general_hrr_J(3, 3, 2, 0, hAB, HRR_INT__g_d_d_s, HRR_INT__f_d_d_s, HRR_INT__f_f_d_s);
885
886 // form INT__f_f_f_s
887 ostei_general_hrr_J(3, 3, 3, 0, hAB, HRR_INT__g_d_f_s, HRR_INT__f_d_f_s, HRR_INT__f_f_f_s);
888
889 // form INT__f_f_g_s
890 ostei_general_hrr_J(3, 3, 4, 0, hAB, HRR_INT__g_d_g_s, HRR_INT__f_d_g_s, HRR_INT__f_f_g_s);
891
892 // form INT__f_f_d_p
893 for(ibra = 0; ibra < 100; ++ibra)
894 {
895 HRR_INT__f_f_d_p[ibra * 18 + 0] = HRR_INT__f_f_f_s[ibra * 10 + 0] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 0] );
896
897 HRR_INT__f_f_d_p[ibra * 18 + 1] = HRR_INT__f_f_f_s[ibra * 10 + 1] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 0] );
898
899 HRR_INT__f_f_d_p[ibra * 18 + 2] = HRR_INT__f_f_f_s[ibra * 10 + 2] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 0] );
900
901 HRR_INT__f_f_d_p[ibra * 18 + 3] = HRR_INT__f_f_f_s[ibra * 10 + 1] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 1] );
902
903 HRR_INT__f_f_d_p[ibra * 18 + 4] = HRR_INT__f_f_f_s[ibra * 10 + 3] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 1] );
904
905 HRR_INT__f_f_d_p[ibra * 18 + 5] = HRR_INT__f_f_f_s[ibra * 10 + 4] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 1] );
906
907 HRR_INT__f_f_d_p[ibra * 18 + 6] = HRR_INT__f_f_f_s[ibra * 10 + 2] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 2] );
908
909 HRR_INT__f_f_d_p[ibra * 18 + 7] = HRR_INT__f_f_f_s[ibra * 10 + 4] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 2] );
910
911 HRR_INT__f_f_d_p[ibra * 18 + 8] = HRR_INT__f_f_f_s[ibra * 10 + 5] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 2] );
912
913 HRR_INT__f_f_d_p[ibra * 18 + 9] = HRR_INT__f_f_f_s[ibra * 10 + 3] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 3] );
914
915 HRR_INT__f_f_d_p[ibra * 18 + 10] = HRR_INT__f_f_f_s[ibra * 10 + 6] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 3] );
916
917 HRR_INT__f_f_d_p[ibra * 18 + 11] = HRR_INT__f_f_f_s[ibra * 10 + 7] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 3] );
918
919 HRR_INT__f_f_d_p[ibra * 18 + 12] = HRR_INT__f_f_f_s[ibra * 10 + 4] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 4] );
920
921 HRR_INT__f_f_d_p[ibra * 18 + 13] = HRR_INT__f_f_f_s[ibra * 10 + 7] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 4] );
922
923 HRR_INT__f_f_d_p[ibra * 18 + 14] = HRR_INT__f_f_f_s[ibra * 10 + 8] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 4] );
924
925 HRR_INT__f_f_d_p[ibra * 18 + 15] = HRR_INT__f_f_f_s[ibra * 10 + 5] + ( hCD[0] * HRR_INT__f_f_d_s[ibra * 6 + 5] );
926
927 HRR_INT__f_f_d_p[ibra * 18 + 16] = HRR_INT__f_f_f_s[ibra * 10 + 8] + ( hCD[1] * HRR_INT__f_f_d_s[ibra * 6 + 5] );
928
929 HRR_INT__f_f_d_p[ibra * 18 + 17] = HRR_INT__f_f_f_s[ibra * 10 + 9] + ( hCD[2] * HRR_INT__f_f_d_s[ibra * 6 + 5] );
930
931 }
932
933 // form INT__f_f_f_p
934 HRR_L_f_p(
935 HRR_INT__f_f_f_p,
936 HRR_INT__f_f_f_s,
937 HRR_INT__f_f_g_s,
938 hCD, 100);
939
940 // form INT__f_f_d_d
941 HRR_L_d_d(
942 HRR_INT__f_f_d_d,
943 HRR_INT__f_f_d_p,
944 HRR_INT__f_f_f_p,
945 hCD, 100);
946
947
948 } // close HRR loop
949
950
951 } // close loop cdbatch
952
953 istart = iend;
954 } // close loop over ab
955
956 return P.nshell12_clip * Q.nshell12_clip;
957 }
958
959