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_d_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__d_f_d_d)8 int ostei_d_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__d_f_d_d)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__d_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__s_f_d_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__s_f_f_s = work + (SIMINT_NSHELL_SIMD * 60);
31 double * const INT__s_f_g_s = work + (SIMINT_NSHELL_SIMD * 160);
32 double * const INT__s_g_d_s = work + (SIMINT_NSHELL_SIMD * 310);
33 double * const INT__s_g_f_s = work + (SIMINT_NSHELL_SIMD * 400);
34 double * const INT__s_g_g_s = work + (SIMINT_NSHELL_SIMD * 550);
35 double * const INT__s_h_d_s = work + (SIMINT_NSHELL_SIMD * 775);
36 double * const INT__s_h_f_s = work + (SIMINT_NSHELL_SIMD * 901);
37 double * const INT__s_h_g_s = work + (SIMINT_NSHELL_SIMD * 1111);
38 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*1426);
39 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 10;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__s_p_s_s = primwork + 22;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_p_p_s = primwork + 49;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_p_d_s = primwork + 85;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_d_s_s = primwork + 139;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__s_d_p_s = primwork + 187;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_d_d_s = primwork + 259;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_d_f_s = primwork + 367;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__s_f_s_s = primwork + 487;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__s_f_p_s = primwork + 557;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__s_f_d_s = primwork + 677;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__s_f_f_s = primwork + 857;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__s_f_g_s = primwork + 1057;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__s_g_s_s = primwork + 1207;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__s_g_p_s = primwork + 1297;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__s_g_d_s = primwork + 1477;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__s_g_f_s = primwork + 1747;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__s_g_g_s = primwork + 2047;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__s_h_s_s = primwork + 2272;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__s_h_p_s = primwork + 2377;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__s_h_d_s = primwork + 2629;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__s_h_f_s = primwork + 3007;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__s_h_g_s = primwork + 3427;
63 double * const hrrwork = (double *)(primwork + 3742);
64 double * const HRR_INT__p_f_d_s = hrrwork + 0;
65 double * const HRR_INT__p_f_f_s = hrrwork + 180;
66 double * const HRR_INT__p_f_g_s = hrrwork + 480;
67 double * const HRR_INT__p_g_d_s = hrrwork + 930;
68 double * const HRR_INT__p_g_f_s = hrrwork + 1200;
69 double * const HRR_INT__p_g_g_s = hrrwork + 1650;
70 double * const HRR_INT__d_f_d_s = hrrwork + 2325;
71 double * const HRR_INT__d_f_d_p = hrrwork + 2685;
72 double * const HRR_INT__d_f_f_s = hrrwork + 3765;
73 double * const HRR_INT__d_f_f_p = hrrwork + 4365;
74 double * const HRR_INT__d_f_g_s = hrrwork + 6165;
75
76
77 // Create constants
78 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
79 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
80 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
81 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
82 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
83 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
84
85
86 ////////////////////////////////////////
87 // Loop over shells and primitives
88 ////////////////////////////////////////
89
90 real_abcd = 0;
91 istart = 0;
92 for(ab = 0; ab < P.nshell12_clip; ++ab)
93 {
94 const int iend = istart + P.nprim12[ab];
95
96 cd = 0;
97 jstart = 0;
98
99 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
100 {
101 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
102 int jend = jstart;
103 for(i = 0; i < nshellbatch; i++)
104 jend += Q.nprim12[cd+i];
105
106 // Clear the beginning of the workspace (where we are accumulating integrals)
107 memset(work, 0, SIMINT_NSHELL_SIMD * 1426 * sizeof(double));
108 abcd = 0;
109
110
111 for(i = istart; i < iend; ++i)
112 {
113 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
114
115 if(check_screen)
116 {
117 // Skip this whole thing if always insignificant
118 if((P.screen[i] * Q.screen_max) < screen_tol)
119 continue;
120 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
121 }
122
123 icd = 0;
124 iprimcd = 0;
125 nprim_icd = Q.nprim12[cd];
126 double * restrict PRIM_PTR_INT__s_f_d_s = INT__s_f_d_s + abcd * 60;
127 double * restrict PRIM_PTR_INT__s_f_f_s = INT__s_f_f_s + abcd * 100;
128 double * restrict PRIM_PTR_INT__s_f_g_s = INT__s_f_g_s + abcd * 150;
129 double * restrict PRIM_PTR_INT__s_g_d_s = INT__s_g_d_s + abcd * 90;
130 double * restrict PRIM_PTR_INT__s_g_f_s = INT__s_g_f_s + abcd * 150;
131 double * restrict PRIM_PTR_INT__s_g_g_s = INT__s_g_g_s + abcd * 225;
132 double * restrict PRIM_PTR_INT__s_h_d_s = INT__s_h_d_s + abcd * 126;
133 double * restrict PRIM_PTR_INT__s_h_f_s = INT__s_h_f_s + abcd * 210;
134 double * restrict PRIM_PTR_INT__s_h_g_s = INT__s_h_g_s + abcd * 315;
135
136
137
138 // Load these one per loop over i
139 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
140 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
141 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
142
143 const SIMINT_DBLTYPE P_PB[3] = { SIMINT_DBLSET1(P.PB_x[i]), SIMINT_DBLSET1(P.PB_y[i]), SIMINT_DBLSET1(P.PB_z[i]) };
144
145 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
146 {
147 // calculate the shell offsets
148 // these are the offset from the shell pointed to by cd
149 // for each element
150 int shelloffsets[SIMINT_SIMD_LEN] = {0};
151 int lastoffset = 0;
152 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
153
154 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
155 {
156 // Handle if the first element of the vector is a new shell
157 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
158 {
159 nprim_icd += Q.nprim12[cd + (++icd)];
160 PRIM_PTR_INT__s_f_d_s += 60;
161 PRIM_PTR_INT__s_f_f_s += 100;
162 PRIM_PTR_INT__s_f_g_s += 150;
163 PRIM_PTR_INT__s_g_d_s += 90;
164 PRIM_PTR_INT__s_g_f_s += 150;
165 PRIM_PTR_INT__s_g_g_s += 225;
166 PRIM_PTR_INT__s_h_d_s += 126;
167 PRIM_PTR_INT__s_h_f_s += 210;
168 PRIM_PTR_INT__s_h_g_s += 315;
169 }
170 iprimcd++;
171 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
172 {
173 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
174 {
175 shelloffsets[n] = shelloffsets[n-1] + 1;
176 lastoffset++;
177 nprim_icd += Q.nprim12[cd + (++icd)];
178 }
179 else
180 shelloffsets[n] = shelloffsets[n-1];
181 iprimcd++;
182 }
183 }
184 else
185 iprimcd += SIMINT_SIMD_LEN;
186
187 // Do we have to compute this vector (or has it been screened out)?
188 // (not_screened != 0 means we have to do this vector)
189 if(check_screen)
190 {
191 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
192 if(vmax < screen_tol)
193 {
194 PRIM_PTR_INT__s_f_d_s += lastoffset*60;
195 PRIM_PTR_INT__s_f_f_s += lastoffset*100;
196 PRIM_PTR_INT__s_f_g_s += lastoffset*150;
197 PRIM_PTR_INT__s_g_d_s += lastoffset*90;
198 PRIM_PTR_INT__s_g_f_s += lastoffset*150;
199 PRIM_PTR_INT__s_g_g_s += lastoffset*225;
200 PRIM_PTR_INT__s_h_d_s += lastoffset*126;
201 PRIM_PTR_INT__s_h_f_s += lastoffset*210;
202 PRIM_PTR_INT__s_h_g_s += lastoffset*315;
203 continue;
204 }
205 }
206
207 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
208 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
209 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
210 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
211
212
213 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
214 SIMINT_DBLTYPE PQ[3];
215 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
216 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
217 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
218 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
219 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
220 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
221
222 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
223 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
224 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
225 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
226 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
227 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
228 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
229
230 // NOTE: Minus sign!
231 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
232 SIMINT_DBLTYPE aop_PQ[3];
233 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
234 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
235 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
236
237 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
238 SIMINT_DBLTYPE aoq_PQ[3];
239 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
240 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
241 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
242 // Put a minus sign here so we don't have to in RR routines
243 a_over_q = SIMINT_NEG(a_over_q);
244
245
246 //////////////////////////////////////////////
247 // Fjt function section
248 // Maximum v value: 9
249 //////////////////////////////////////////////
250 // The parameter to the Fjt function
251 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
252
253
254 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
255
256
257 boys_F_split(PRIM_INT__s_s_s_s, F_x, 9);
258 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
259 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
260 for(n = 0; n <= 9; n++)
261 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
262
263 //////////////////////////////////////////////
264 // Primitive integrals: Vertical recurrance
265 //////////////////////////////////////////////
266
267 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
268 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
269 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
270 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
271 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
272 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
273 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
274 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
275 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
276 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
277 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
278 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
279
280
281
282 // Forming PRIM_INT__s_p_s_s[9 * 3];
283 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
284 {
285
286 PRIM_INT__s_p_s_s[n * 3 + 0] = SIMINT_MUL(P_PB[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
287 PRIM_INT__s_p_s_s[n * 3 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_s_s[n * 3 + 0]);
288
289 PRIM_INT__s_p_s_s[n * 3 + 1] = SIMINT_MUL(P_PB[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
290 PRIM_INT__s_p_s_s[n * 3 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_s_s[n * 3 + 1]);
291
292 PRIM_INT__s_p_s_s[n * 3 + 2] = SIMINT_MUL(P_PB[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
293 PRIM_INT__s_p_s_s[n * 3 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_s_s[n * 3 + 2]);
294
295 }
296
297
298
299 // Forming PRIM_INT__s_d_s_s[8 * 6];
300 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
301 {
302
303 PRIM_INT__s_d_s_s[n * 6 + 0] = SIMINT_MUL(P_PB[0], PRIM_INT__s_p_s_s[n * 3 + 0]);
304 PRIM_INT__s_d_s_s[n * 6 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_s_s[n * 6 + 0]);
305 PRIM_INT__s_d_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__s_d_s_s[n * 6 + 0]);
306
307 PRIM_INT__s_d_s_s[n * 6 + 1] = SIMINT_MUL(P_PB[1], PRIM_INT__s_p_s_s[n * 3 + 0]);
308 PRIM_INT__s_d_s_s[n * 6 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_s_s[n * 6 + 1]);
309
310 PRIM_INT__s_d_s_s[n * 6 + 2] = SIMINT_MUL(P_PB[2], PRIM_INT__s_p_s_s[n * 3 + 0]);
311 PRIM_INT__s_d_s_s[n * 6 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_s_s[n * 6 + 2]);
312
313 PRIM_INT__s_d_s_s[n * 6 + 3] = SIMINT_MUL(P_PB[1], PRIM_INT__s_p_s_s[n * 3 + 1]);
314 PRIM_INT__s_d_s_s[n * 6 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_d_s_s[n * 6 + 3]);
315 PRIM_INT__s_d_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__s_d_s_s[n * 6 + 3]);
316
317 PRIM_INT__s_d_s_s[n * 6 + 4] = SIMINT_MUL(P_PB[2], PRIM_INT__s_p_s_s[n * 3 + 1]);
318 PRIM_INT__s_d_s_s[n * 6 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_d_s_s[n * 6 + 4]);
319
320 PRIM_INT__s_d_s_s[n * 6 + 5] = SIMINT_MUL(P_PB[2], PRIM_INT__s_p_s_s[n * 3 + 2]);
321 PRIM_INT__s_d_s_s[n * 6 + 5] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_d_s_s[n * 6 + 5]);
322 PRIM_INT__s_d_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__s_d_s_s[n * 6 + 5]);
323
324 }
325
326
327
328 // Forming PRIM_INT__s_f_s_s[7 * 10];
329 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
330 {
331
332 PRIM_INT__s_f_s_s[n * 10 + 0] = SIMINT_MUL(P_PB[0], PRIM_INT__s_d_s_s[n * 6 + 0]);
333 PRIM_INT__s_f_s_s[n * 10 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_f_s_s[n * 10 + 0]);
334 PRIM_INT__s_f_s_s[n * 10 + 0] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_s_s[n * 3 + 0]), PRIM_INT__s_f_s_s[n * 10 + 0]);
335
336 PRIM_INT__s_f_s_s[n * 10 + 1] = SIMINT_MUL(P_PB[1], PRIM_INT__s_d_s_s[n * 6 + 0]);
337 PRIM_INT__s_f_s_s[n * 10 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_f_s_s[n * 10 + 1]);
338
339 PRIM_INT__s_f_s_s[n * 10 + 2] = SIMINT_MUL(P_PB[2], PRIM_INT__s_d_s_s[n * 6 + 0]);
340 PRIM_INT__s_f_s_s[n * 10 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_f_s_s[n * 10 + 2]);
341
342 PRIM_INT__s_f_s_s[n * 10 + 3] = SIMINT_MUL(P_PB[0], PRIM_INT__s_d_s_s[n * 6 + 3]);
343 PRIM_INT__s_f_s_s[n * 10 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_f_s_s[n * 10 + 3]);
344
345 PRIM_INT__s_f_s_s[n * 10 + 4] = SIMINT_MUL(P_PB[2], PRIM_INT__s_d_s_s[n * 6 + 1]);
346 PRIM_INT__s_f_s_s[n * 10 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 1], PRIM_INT__s_f_s_s[n * 10 + 4]);
347
348 PRIM_INT__s_f_s_s[n * 10 + 5] = SIMINT_MUL(P_PB[0], PRIM_INT__s_d_s_s[n * 6 + 5]);
349 PRIM_INT__s_f_s_s[n * 10 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_f_s_s[n * 10 + 5]);
350
351 PRIM_INT__s_f_s_s[n * 10 + 6] = SIMINT_MUL(P_PB[1], PRIM_INT__s_d_s_s[n * 6 + 3]);
352 PRIM_INT__s_f_s_s[n * 10 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_f_s_s[n * 10 + 6]);
353 PRIM_INT__s_f_s_s[n * 10 + 6] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_s_s[n * 3 + 1]), PRIM_INT__s_f_s_s[n * 10 + 6]);
354
355 PRIM_INT__s_f_s_s[n * 10 + 7] = SIMINT_MUL(P_PB[2], PRIM_INT__s_d_s_s[n * 6 + 3]);
356 PRIM_INT__s_f_s_s[n * 10 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_f_s_s[n * 10 + 7]);
357
358 PRIM_INT__s_f_s_s[n * 10 + 8] = SIMINT_MUL(P_PB[1], PRIM_INT__s_d_s_s[n * 6 + 5]);
359 PRIM_INT__s_f_s_s[n * 10 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_f_s_s[n * 10 + 8]);
360
361 PRIM_INT__s_f_s_s[n * 10 + 9] = SIMINT_MUL(P_PB[2], PRIM_INT__s_d_s_s[n * 6 + 5]);
362 PRIM_INT__s_f_s_s[n * 10 + 9] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_f_s_s[n * 10 + 9]);
363 PRIM_INT__s_f_s_s[n * 10 + 9] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_s_s[n * 3 + 2]), PRIM_INT__s_f_s_s[n * 10 + 9]);
364
365 }
366
367
368 VRR_K_s_f_p_s(
369 PRIM_INT__s_f_p_s,
370 PRIM_INT__s_f_s_s,
371 PRIM_INT__s_d_s_s,
372 Q_PA,
373 aoq_PQ,
374 one_over_2pq,
375 4);
376
377
378
379 // Forming PRIM_INT__s_d_p_s[4 * 18];
380 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
381 {
382
383 PRIM_INT__s_d_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 0]);
384 PRIM_INT__s_d_p_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_d_p_s[n * 18 + 0]);
385 PRIM_INT__s_d_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_p_s[n * 18 + 0]);
386
387 PRIM_INT__s_d_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 0]);
388 PRIM_INT__s_d_p_s[n * 18 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_d_p_s[n * 18 + 1]);
389
390 PRIM_INT__s_d_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 0]);
391 PRIM_INT__s_d_p_s[n * 18 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 0], PRIM_INT__s_d_p_s[n * 18 + 2]);
392
393 PRIM_INT__s_d_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 1]);
394 PRIM_INT__s_d_p_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 1], PRIM_INT__s_d_p_s[n * 18 + 3]);
395 PRIM_INT__s_d_p_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_d_p_s[n * 18 + 3]);
396
397 PRIM_INT__s_d_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 1]);
398 PRIM_INT__s_d_p_s[n * 18 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 1], PRIM_INT__s_d_p_s[n * 18 + 4]);
399 PRIM_INT__s_d_p_s[n * 18 + 4] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_p_s[n * 18 + 4]);
400
401 PRIM_INT__s_d_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 1]);
402 PRIM_INT__s_d_p_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 1], PRIM_INT__s_d_p_s[n * 18 + 5]);
403
404 PRIM_INT__s_d_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 2]);
405 PRIM_INT__s_d_p_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 2], PRIM_INT__s_d_p_s[n * 18 + 6]);
406 PRIM_INT__s_d_p_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_d_p_s[n * 18 + 6]);
407
408 PRIM_INT__s_d_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 2]);
409 PRIM_INT__s_d_p_s[n * 18 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 2], PRIM_INT__s_d_p_s[n * 18 + 7]);
410
411 PRIM_INT__s_d_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 2]);
412 PRIM_INT__s_d_p_s[n * 18 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 2], PRIM_INT__s_d_p_s[n * 18 + 8]);
413 PRIM_INT__s_d_p_s[n * 18 + 8] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_d_p_s[n * 18 + 8]);
414
415 PRIM_INT__s_d_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 3]);
416 PRIM_INT__s_d_p_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_d_p_s[n * 18 + 9]);
417
418 PRIM_INT__s_d_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 3]);
419 PRIM_INT__s_d_p_s[n * 18 + 10] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_d_p_s[n * 18 + 10]);
420 PRIM_INT__s_d_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_d_p_s[n * 18 + 10]);
421
422 PRIM_INT__s_d_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 3]);
423 PRIM_INT__s_d_p_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 3], PRIM_INT__s_d_p_s[n * 18 + 11]);
424
425 PRIM_INT__s_d_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 4]);
426 PRIM_INT__s_d_p_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 4], PRIM_INT__s_d_p_s[n * 18 + 12]);
427
428 PRIM_INT__s_d_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 4]);
429 PRIM_INT__s_d_p_s[n * 18 + 13] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 4], PRIM_INT__s_d_p_s[n * 18 + 13]);
430 PRIM_INT__s_d_p_s[n * 18 + 13] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_d_p_s[n * 18 + 13]);
431
432 PRIM_INT__s_d_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 4]);
433 PRIM_INT__s_d_p_s[n * 18 + 14] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 4], PRIM_INT__s_d_p_s[n * 18 + 14]);
434 PRIM_INT__s_d_p_s[n * 18 + 14] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_d_p_s[n * 18 + 14]);
435
436 PRIM_INT__s_d_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_d_s_s[n * 6 + 5]);
437 PRIM_INT__s_d_p_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_d_p_s[n * 18 + 15]);
438
439 PRIM_INT__s_d_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_d_s_s[n * 6 + 5]);
440 PRIM_INT__s_d_p_s[n * 18 + 16] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_d_p_s[n * 18 + 16]);
441
442 PRIM_INT__s_d_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_d_s_s[n * 6 + 5]);
443 PRIM_INT__s_d_p_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_d_s_s[(n+1) * 6 + 5], PRIM_INT__s_d_p_s[n * 18 + 17]);
444 PRIM_INT__s_d_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_d_p_s[n * 18 + 17]);
445
446 }
447
448
449 VRR_K_s_f_d_s(
450 PRIM_INT__s_f_d_s,
451 PRIM_INT__s_f_p_s,
452 PRIM_INT__s_f_s_s,
453 PRIM_INT__s_d_p_s,
454 Q_PA,
455 a_over_q,
456 aoq_PQ,
457 one_over_2pq,
458 one_over_2q,
459 3);
460
461
462
463 // Forming PRIM_INT__s_p_p_s[4 * 9];
464 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
465 {
466
467 PRIM_INT__s_p_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_s_s[n * 3 + 0]);
468 PRIM_INT__s_p_p_s[n * 9 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_p_s[n * 9 + 0]);
469 PRIM_INT__s_p_p_s[n * 9 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_p_s[n * 9 + 0]);
470
471 PRIM_INT__s_p_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_s_s[n * 3 + 0]);
472 PRIM_INT__s_p_p_s[n * 9 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_p_s[n * 9 + 1]);
473
474 PRIM_INT__s_p_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_s_s[n * 3 + 0]);
475 PRIM_INT__s_p_p_s[n * 9 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_p_s[n * 9 + 2]);
476
477 PRIM_INT__s_p_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_s_s[n * 3 + 1]);
478 PRIM_INT__s_p_p_s[n * 9 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_p_s[n * 9 + 3]);
479
480 PRIM_INT__s_p_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_s_s[n * 3 + 1]);
481 PRIM_INT__s_p_p_s[n * 9 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_p_s[n * 9 + 4]);
482 PRIM_INT__s_p_p_s[n * 9 + 4] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_p_s[n * 9 + 4]);
483
484 PRIM_INT__s_p_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_s_s[n * 3 + 1]);
485 PRIM_INT__s_p_p_s[n * 9 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_p_s[n * 9 + 5]);
486
487 PRIM_INT__s_p_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_s_s[n * 3 + 2]);
488 PRIM_INT__s_p_p_s[n * 9 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_p_s[n * 9 + 6]);
489
490 PRIM_INT__s_p_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_s_s[n * 3 + 2]);
491 PRIM_INT__s_p_p_s[n * 9 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_p_s[n * 9 + 7]);
492
493 PRIM_INT__s_p_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_s_s[n * 3 + 2]);
494 PRIM_INT__s_p_p_s[n * 9 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_p_s[n * 9 + 8]);
495 PRIM_INT__s_p_p_s[n * 9 + 8] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_p_p_s[n * 9 + 8]);
496
497 }
498
499
500 VRR_K_s_d_d_s(
501 PRIM_INT__s_d_d_s,
502 PRIM_INT__s_d_p_s,
503 PRIM_INT__s_d_s_s,
504 PRIM_INT__s_p_p_s,
505 Q_PA,
506 a_over_q,
507 aoq_PQ,
508 one_over_2pq,
509 one_over_2q,
510 3);
511
512
513 ostei_general_vrr_K(0, 3, 3, 0, 2,
514 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
515 PRIM_INT__s_f_d_s, PRIM_INT__s_f_p_s, NULL, NULL, PRIM_INT__s_d_d_s, PRIM_INT__s_f_f_s);
516
517
518 VRR_J_s_g_s_s(
519 PRIM_INT__s_g_s_s,
520 PRIM_INT__s_f_s_s,
521 PRIM_INT__s_d_s_s,
522 P_PB,
523 a_over_p,
524 aop_PQ,
525 one_over_2p,
526 6);
527
528
529 VRR_K_s_g_p_s(
530 PRIM_INT__s_g_p_s,
531 PRIM_INT__s_g_s_s,
532 PRIM_INT__s_f_s_s,
533 Q_PA,
534 aoq_PQ,
535 one_over_2pq,
536 4);
537
538
539 ostei_general_vrr_K(0, 4, 2, 0, 3,
540 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
541 PRIM_INT__s_g_p_s, PRIM_INT__s_g_s_s, NULL, NULL, PRIM_INT__s_f_p_s, PRIM_INT__s_g_d_s);
542
543
544
545 // Forming PRIM_INT__s_s_p_s[4 * 3];
546 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
547 {
548
549 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
550 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]);
551
552 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
553 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]);
554
555 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
556 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]);
557
558 }
559
560
561
562 // Forming PRIM_INT__s_p_d_s[3 * 18];
563 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
564 {
565
566 PRIM_INT__s_p_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_p_s[n * 9 + 0]);
567 PRIM_INT__s_p_d_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_p_s[(n+1) * 9 + 0], PRIM_INT__s_p_d_s[n * 18 + 0]);
568 PRIM_INT__s_p_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_s_s[n * 3 + 0]), PRIM_INT__s_p_d_s[n * 18 + 0]);
569 PRIM_INT__s_p_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_p_d_s[n * 18 + 0]);
570
571 PRIM_INT__s_p_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_p_s[n * 9 + 1]);
572 PRIM_INT__s_p_d_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_p_s[(n+1) * 9 + 1], PRIM_INT__s_p_d_s[n * 18 + 3]);
573 PRIM_INT__s_p_d_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_s_s[n * 3 + 0]), PRIM_INT__s_p_d_s[n * 18 + 3]);
574
575 PRIM_INT__s_p_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_p_s[n * 9 + 2]);
576 PRIM_INT__s_p_d_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_p_s[(n+1) * 9 + 2], PRIM_INT__s_p_d_s[n * 18 + 5]);
577 PRIM_INT__s_p_d_s[n * 18 + 5] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 0], PRIM_INT__s_p_s_s[n * 3 + 0]), PRIM_INT__s_p_d_s[n * 18 + 5]);
578
579 PRIM_INT__s_p_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_p_s[n * 9 + 3]);
580 PRIM_INT__s_p_d_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_p_s[(n+1) * 9 + 3], PRIM_INT__s_p_d_s[n * 18 + 6]);
581 PRIM_INT__s_p_d_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_s_s[n * 3 + 1]), PRIM_INT__s_p_d_s[n * 18 + 6]);
582
583 PRIM_INT__s_p_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_p_s[n * 9 + 4]);
584 PRIM_INT__s_p_d_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_p_s[(n+1) * 9 + 4], PRIM_INT__s_p_d_s[n * 18 + 9]);
585 PRIM_INT__s_p_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_s_s[n * 3 + 1]), PRIM_INT__s_p_d_s[n * 18 + 9]);
586 PRIM_INT__s_p_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_p_d_s[n * 18 + 9]);
587
588 PRIM_INT__s_p_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_p_s[n * 9 + 5]);
589 PRIM_INT__s_p_d_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_p_s[(n+1) * 9 + 5], PRIM_INT__s_p_d_s[n * 18 + 11]);
590 PRIM_INT__s_p_d_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 1], PRIM_INT__s_p_s_s[n * 3 + 1]), PRIM_INT__s_p_d_s[n * 18 + 11]);
591
592 PRIM_INT__s_p_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_p_p_s[n * 9 + 6]);
593 PRIM_INT__s_p_d_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_p_p_s[(n+1) * 9 + 6], PRIM_INT__s_p_d_s[n * 18 + 12]);
594 PRIM_INT__s_p_d_s[n * 18 + 12] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_s_s[n * 3 + 2]), PRIM_INT__s_p_d_s[n * 18 + 12]);
595
596 PRIM_INT__s_p_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_p_p_s[n * 9 + 7]);
597 PRIM_INT__s_p_d_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_p_p_s[(n+1) * 9 + 7], PRIM_INT__s_p_d_s[n * 18 + 15]);
598 PRIM_INT__s_p_d_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_s_s[n * 3 + 2]), PRIM_INT__s_p_d_s[n * 18 + 15]);
599
600 PRIM_INT__s_p_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_p_p_s[n * 9 + 8]);
601 PRIM_INT__s_p_d_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_p_p_s[(n+1) * 9 + 8], PRIM_INT__s_p_d_s[n * 18 + 17]);
602 PRIM_INT__s_p_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_p_s_s[(n+1) * 3 + 2], PRIM_INT__s_p_s_s[n * 3 + 2]), PRIM_INT__s_p_d_s[n * 18 + 17]);
603 PRIM_INT__s_p_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_p_d_s[n * 18 + 17]);
604
605 }
606
607
608 VRR_K_s_d_f_s(
609 PRIM_INT__s_d_f_s,
610 PRIM_INT__s_d_d_s,
611 PRIM_INT__s_d_p_s,
612 PRIM_INT__s_p_d_s,
613 Q_PA,
614 a_over_q,
615 aoq_PQ,
616 one_over_2pq,
617 one_over_2q,
618 2);
619
620
621 ostei_general_vrr_K(0, 3, 4, 0, 1,
622 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
623 PRIM_INT__s_f_f_s, PRIM_INT__s_f_d_s, NULL, NULL, PRIM_INT__s_d_f_s, PRIM_INT__s_f_g_s);
624
625
626 ostei_general_vrr_K(0, 4, 3, 0, 2,
627 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
628 PRIM_INT__s_g_d_s, PRIM_INT__s_g_p_s, NULL, NULL, PRIM_INT__s_f_d_s, PRIM_INT__s_g_f_s);
629
630
631 VRR_J_s_h_s_s(
632 PRIM_INT__s_h_s_s,
633 PRIM_INT__s_g_s_s,
634 PRIM_INT__s_f_s_s,
635 P_PB,
636 a_over_p,
637 aop_PQ,
638 one_over_2p,
639 5);
640
641
642 ostei_general_vrr_K(0, 5, 1, 0, 4,
643 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
644 PRIM_INT__s_h_s_s, NULL, NULL, NULL, PRIM_INT__s_g_s_s, PRIM_INT__s_h_p_s);
645
646
647 ostei_general_vrr_K(0, 5, 2, 0, 3,
648 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
649 PRIM_INT__s_h_p_s, PRIM_INT__s_h_s_s, NULL, NULL, PRIM_INT__s_g_p_s, PRIM_INT__s_h_d_s);
650
651
652 ostei_general_vrr_K(0, 4, 4, 0, 1,
653 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
654 PRIM_INT__s_g_f_s, PRIM_INT__s_g_d_s, NULL, NULL, PRIM_INT__s_f_f_s, PRIM_INT__s_g_g_s);
655
656
657 ostei_general_vrr_K(0, 5, 3, 0, 2,
658 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
659 PRIM_INT__s_h_d_s, PRIM_INT__s_h_p_s, NULL, NULL, PRIM_INT__s_g_d_s, PRIM_INT__s_h_f_s);
660
661
662 ostei_general_vrr_K(0, 5, 4, 0, 1,
663 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
664 PRIM_INT__s_h_f_s, PRIM_INT__s_h_d_s, NULL, NULL, PRIM_INT__s_g_f_s, PRIM_INT__s_h_g_s);
665
666
667
668
669 ////////////////////////////////////
670 // Accumulate contracted integrals
671 ////////////////////////////////////
672 if(lastoffset == 0)
673 {
674 contract_all(60, PRIM_INT__s_f_d_s, PRIM_PTR_INT__s_f_d_s);
675 contract_all(100, PRIM_INT__s_f_f_s, PRIM_PTR_INT__s_f_f_s);
676 contract_all(150, PRIM_INT__s_f_g_s, PRIM_PTR_INT__s_f_g_s);
677 contract_all(90, PRIM_INT__s_g_d_s, PRIM_PTR_INT__s_g_d_s);
678 contract_all(150, PRIM_INT__s_g_f_s, PRIM_PTR_INT__s_g_f_s);
679 contract_all(225, PRIM_INT__s_g_g_s, PRIM_PTR_INT__s_g_g_s);
680 contract_all(126, PRIM_INT__s_h_d_s, PRIM_PTR_INT__s_h_d_s);
681 contract_all(210, PRIM_INT__s_h_f_s, PRIM_PTR_INT__s_h_f_s);
682 contract_all(315, PRIM_INT__s_h_g_s, PRIM_PTR_INT__s_h_g_s);
683 }
684 else
685 {
686 contract(60, shelloffsets, PRIM_INT__s_f_d_s, PRIM_PTR_INT__s_f_d_s);
687 contract(100, shelloffsets, PRIM_INT__s_f_f_s, PRIM_PTR_INT__s_f_f_s);
688 contract(150, shelloffsets, PRIM_INT__s_f_g_s, PRIM_PTR_INT__s_f_g_s);
689 contract(90, shelloffsets, PRIM_INT__s_g_d_s, PRIM_PTR_INT__s_g_d_s);
690 contract(150, shelloffsets, PRIM_INT__s_g_f_s, PRIM_PTR_INT__s_g_f_s);
691 contract(225, shelloffsets, PRIM_INT__s_g_g_s, PRIM_PTR_INT__s_g_g_s);
692 contract(126, shelloffsets, PRIM_INT__s_h_d_s, PRIM_PTR_INT__s_h_d_s);
693 contract(210, shelloffsets, PRIM_INT__s_h_f_s, PRIM_PTR_INT__s_h_f_s);
694 contract(315, shelloffsets, PRIM_INT__s_h_g_s, PRIM_PTR_INT__s_h_g_s);
695 PRIM_PTR_INT__s_f_d_s += lastoffset*60;
696 PRIM_PTR_INT__s_f_f_s += lastoffset*100;
697 PRIM_PTR_INT__s_f_g_s += lastoffset*150;
698 PRIM_PTR_INT__s_g_d_s += lastoffset*90;
699 PRIM_PTR_INT__s_g_f_s += lastoffset*150;
700 PRIM_PTR_INT__s_g_g_s += lastoffset*225;
701 PRIM_PTR_INT__s_h_d_s += lastoffset*126;
702 PRIM_PTR_INT__s_h_f_s += lastoffset*210;
703 PRIM_PTR_INT__s_h_g_s += lastoffset*315;
704 }
705
706 } // close loop over j
707 } // close loop over i
708
709 //Advance to the next batch
710 jstart = SIMINT_SIMD_ROUND(jend);
711
712 //////////////////////////////////////////////
713 // Contracted integrals: Horizontal recurrance
714 //////////////////////////////////////////////
715
716
717 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
718
719
720 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
721 {
722 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
723
724 // set up HRR pointers
725 double const * restrict HRR_INT__s_f_d_s = INT__s_f_d_s + abcd * 60;
726 double const * restrict HRR_INT__s_f_f_s = INT__s_f_f_s + abcd * 100;
727 double const * restrict HRR_INT__s_f_g_s = INT__s_f_g_s + abcd * 150;
728 double const * restrict HRR_INT__s_g_d_s = INT__s_g_d_s + abcd * 90;
729 double const * restrict HRR_INT__s_g_f_s = INT__s_g_f_s + abcd * 150;
730 double const * restrict HRR_INT__s_g_g_s = INT__s_g_g_s + abcd * 225;
731 double const * restrict HRR_INT__s_h_d_s = INT__s_h_d_s + abcd * 126;
732 double const * restrict HRR_INT__s_h_f_s = INT__s_h_f_s + abcd * 210;
733 double const * restrict HRR_INT__s_h_g_s = INT__s_h_g_s + abcd * 315;
734 double * restrict HRR_INT__d_f_d_d = INT__d_f_d_d + real_abcd * 2160;
735
736 // form INT__p_f_d_s
737 HRR_I_p_f(
738 HRR_INT__p_f_d_s,
739 HRR_INT__s_f_d_s,
740 HRR_INT__s_g_d_s,
741 hAB, 6);
742
743 // form INT__p_f_f_s
744 HRR_I_p_f(
745 HRR_INT__p_f_f_s,
746 HRR_INT__s_f_f_s,
747 HRR_INT__s_g_f_s,
748 hAB, 10);
749
750 // form INT__p_f_g_s
751 HRR_I_p_f(
752 HRR_INT__p_f_g_s,
753 HRR_INT__s_f_g_s,
754 HRR_INT__s_g_g_s,
755 hAB, 15);
756
757 // form INT__p_g_d_s
758 HRR_I_p_g(
759 HRR_INT__p_g_d_s,
760 HRR_INT__s_g_d_s,
761 HRR_INT__s_h_d_s,
762 hAB, 6);
763
764 // form INT__p_g_f_s
765 HRR_I_p_g(
766 HRR_INT__p_g_f_s,
767 HRR_INT__s_g_f_s,
768 HRR_INT__s_h_f_s,
769 hAB, 10);
770
771 // form INT__p_g_g_s
772 HRR_I_p_g(
773 HRR_INT__p_g_g_s,
774 HRR_INT__s_g_g_s,
775 HRR_INT__s_h_g_s,
776 hAB, 15);
777
778 // form INT__d_f_d_s
779 HRR_I_d_f(
780 HRR_INT__d_f_d_s,
781 HRR_INT__p_f_d_s,
782 HRR_INT__p_g_d_s,
783 hAB, 6);
784
785 // form INT__d_f_f_s
786 HRR_I_d_f(
787 HRR_INT__d_f_f_s,
788 HRR_INT__p_f_f_s,
789 HRR_INT__p_g_f_s,
790 hAB, 10);
791
792 // form INT__d_f_g_s
793 HRR_I_d_f(
794 HRR_INT__d_f_g_s,
795 HRR_INT__p_f_g_s,
796 HRR_INT__p_g_g_s,
797 hAB, 15);
798
799 // form INT__d_f_d_p
800 for(ibra = 0; ibra < 60; ++ibra)
801 {
802 HRR_INT__d_f_d_p[ibra * 18 + 0] = HRR_INT__d_f_f_s[ibra * 10 + 0] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 0] );
803
804 HRR_INT__d_f_d_p[ibra * 18 + 1] = HRR_INT__d_f_f_s[ibra * 10 + 1] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 0] );
805
806 HRR_INT__d_f_d_p[ibra * 18 + 2] = HRR_INT__d_f_f_s[ibra * 10 + 2] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 0] );
807
808 HRR_INT__d_f_d_p[ibra * 18 + 3] = HRR_INT__d_f_f_s[ibra * 10 + 1] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 1] );
809
810 HRR_INT__d_f_d_p[ibra * 18 + 4] = HRR_INT__d_f_f_s[ibra * 10 + 3] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 1] );
811
812 HRR_INT__d_f_d_p[ibra * 18 + 5] = HRR_INT__d_f_f_s[ibra * 10 + 4] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 1] );
813
814 HRR_INT__d_f_d_p[ibra * 18 + 6] = HRR_INT__d_f_f_s[ibra * 10 + 2] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 2] );
815
816 HRR_INT__d_f_d_p[ibra * 18 + 7] = HRR_INT__d_f_f_s[ibra * 10 + 4] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 2] );
817
818 HRR_INT__d_f_d_p[ibra * 18 + 8] = HRR_INT__d_f_f_s[ibra * 10 + 5] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 2] );
819
820 HRR_INT__d_f_d_p[ibra * 18 + 9] = HRR_INT__d_f_f_s[ibra * 10 + 3] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 3] );
821
822 HRR_INT__d_f_d_p[ibra * 18 + 10] = HRR_INT__d_f_f_s[ibra * 10 + 6] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 3] );
823
824 HRR_INT__d_f_d_p[ibra * 18 + 11] = HRR_INT__d_f_f_s[ibra * 10 + 7] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 3] );
825
826 HRR_INT__d_f_d_p[ibra * 18 + 12] = HRR_INT__d_f_f_s[ibra * 10 + 4] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 4] );
827
828 HRR_INT__d_f_d_p[ibra * 18 + 13] = HRR_INT__d_f_f_s[ibra * 10 + 7] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 4] );
829
830 HRR_INT__d_f_d_p[ibra * 18 + 14] = HRR_INT__d_f_f_s[ibra * 10 + 8] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 4] );
831
832 HRR_INT__d_f_d_p[ibra * 18 + 15] = HRR_INT__d_f_f_s[ibra * 10 + 5] + ( hCD[0] * HRR_INT__d_f_d_s[ibra * 6 + 5] );
833
834 HRR_INT__d_f_d_p[ibra * 18 + 16] = HRR_INT__d_f_f_s[ibra * 10 + 8] + ( hCD[1] * HRR_INT__d_f_d_s[ibra * 6 + 5] );
835
836 HRR_INT__d_f_d_p[ibra * 18 + 17] = HRR_INT__d_f_f_s[ibra * 10 + 9] + ( hCD[2] * HRR_INT__d_f_d_s[ibra * 6 + 5] );
837
838 }
839
840 // form INT__d_f_f_p
841 HRR_L_f_p(
842 HRR_INT__d_f_f_p,
843 HRR_INT__d_f_f_s,
844 HRR_INT__d_f_g_s,
845 hCD, 60);
846
847 // form INT__d_f_d_d
848 HRR_L_d_d(
849 HRR_INT__d_f_d_d,
850 HRR_INT__d_f_d_p,
851 HRR_INT__d_f_f_p,
852 hCD, 60);
853
854
855 } // close HRR loop
856
857
858 } // close loop cdbatch
859
860 istart = iend;
861 } // close loop over ab
862
863 return P.nshell12_clip * Q.nshell12_clip;
864 }
865
866