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_d_f_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_d_f_d)8 int ostei_d_d_f_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_d_f_d)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__d_d_f_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__d_s_f_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__d_s_g_s = work + (SIMINT_NSHELL_SIMD * 60);
31 double * const INT__d_s_h_s = work + (SIMINT_NSHELL_SIMD * 150);
32 double * const INT__f_s_f_s = work + (SIMINT_NSHELL_SIMD * 276);
33 double * const INT__f_s_g_s = work + (SIMINT_NSHELL_SIMD * 376);
34 double * const INT__f_s_h_s = work + (SIMINT_NSHELL_SIMD * 526);
35 double * const INT__g_s_f_s = work + (SIMINT_NSHELL_SIMD * 736);
36 double * const INT__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 886);
37 double * const INT__g_s_h_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_s_d_s = primwork + 37;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 85;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 155;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 245;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 350;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 362;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 398;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 470;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 590;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 770;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 1022;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 1076;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 1184;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 1364;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 1634;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 2012;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 2132;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 2332;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 2632;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 3052;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 3202;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 3427;
63 double * const hrrwork = (double *)(primwork + 3742);
64 double * const HRR_INT__d_p_f_s = hrrwork + 0;
65 double * const HRR_INT__d_p_g_s = hrrwork + 180;
66 double * const HRR_INT__d_p_h_s = hrrwork + 450;
67 double * const HRR_INT__d_d_f_s = hrrwork + 828;
68 double * const HRR_INT__d_d_f_p = hrrwork + 1188;
69 double * const HRR_INT__d_d_g_s = hrrwork + 2268;
70 double * const HRR_INT__d_d_g_p = hrrwork + 2808;
71 double * const HRR_INT__d_d_h_s = hrrwork + 4428;
72 double * const HRR_INT__f_p_f_s = hrrwork + 5184;
73 double * const HRR_INT__f_p_g_s = hrrwork + 5484;
74 double * const HRR_INT__f_p_h_s = hrrwork + 5934;
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__d_s_f_s = INT__d_s_f_s + abcd * 60;
127 double * restrict PRIM_PTR_INT__d_s_g_s = INT__d_s_g_s + abcd * 90;
128 double * restrict PRIM_PTR_INT__d_s_h_s = INT__d_s_h_s + abcd * 126;
129 double * restrict PRIM_PTR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
130 double * restrict PRIM_PTR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
131 double * restrict PRIM_PTR_INT__f_s_h_s = INT__f_s_h_s + abcd * 210;
132 double * restrict PRIM_PTR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
133 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
134 double * restrict PRIM_PTR_INT__g_s_h_s = INT__g_s_h_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_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_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__d_s_f_s += 60;
161 PRIM_PTR_INT__d_s_g_s += 90;
162 PRIM_PTR_INT__d_s_h_s += 126;
163 PRIM_PTR_INT__f_s_f_s += 100;
164 PRIM_PTR_INT__f_s_g_s += 150;
165 PRIM_PTR_INT__f_s_h_s += 210;
166 PRIM_PTR_INT__g_s_f_s += 150;
167 PRIM_PTR_INT__g_s_g_s += 225;
168 PRIM_PTR_INT__g_s_h_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__d_s_f_s += lastoffset*60;
195 PRIM_PTR_INT__d_s_g_s += lastoffset*90;
196 PRIM_PTR_INT__d_s_h_s += lastoffset*126;
197 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
198 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
199 PRIM_PTR_INT__f_s_h_s += lastoffset*210;
200 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
201 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
202 PRIM_PTR_INT__g_s_h_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_1_over_2q = one_over_2q;
271 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
272 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
273 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, 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_s_p_s[9 * 3];
283 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
284 {
285
286 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
287 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]);
288
289 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
290 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]);
291
292 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
293 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]);
294
295 }
296
297
298
299 // Forming PRIM_INT__s_s_d_s[8 * 6];
300 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
301 {
302
303 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
304 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]);
305 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]);
306
307 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
308 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_d_s[n * 6 + 1]);
309
310 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
311 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_d_s[n * 6 + 2]);
312
313 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
314 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]);
315 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]);
316
317 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
318 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_d_s[n * 6 + 4]);
319
320 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
321 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]);
322 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]);
323
324 }
325
326
327
328 // Forming PRIM_INT__s_s_f_s[7 * 10];
329 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
330 {
331
332 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
333 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 0]);
334 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__s_s_f_s[n * 10 + 0]);
335
336 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
337 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 1]);
338
339 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
340 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__s_s_f_s[n * 10 + 2]);
341
342 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
343 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 3]);
344
345 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
346 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__s_s_f_s[n * 10 + 4]);
347
348 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
349 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 5]);
350
351 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
352 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 6]);
353 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__s_s_f_s[n * 10 + 6]);
354
355 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
356 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__s_s_f_s[n * 10 + 7]);
357
358 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
359 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 8]);
360
361 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
362 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__s_s_f_s[n * 10 + 9]);
363 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_FMADD( vrr_const_2_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__s_s_f_s[n * 10 + 9]);
364
365 }
366
367
368 VRR_I_p_s_f_s(
369 PRIM_INT__p_s_f_s,
370 PRIM_INT__s_s_f_s,
371 PRIM_INT__s_s_d_s,
372 P_PA,
373 aop_PQ,
374 one_over_2pq,
375 4);
376
377
378
379 // Forming PRIM_INT__p_s_d_s[4 * 18];
380 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
381 {
382
383 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
384 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
385 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
386
387 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
388 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
389 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
390
391 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
392 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
393 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
394
395 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
396 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 3]);
397
398 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
399 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 4]);
400
401 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
402 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 5]);
403
404 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
405 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 6]);
406
407 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
408 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 7]);
409 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 7]);
410
411 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
412 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 8]);
413
414 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
415 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 9]);
416 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 9]);
417
418 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
419 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 10]);
420 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 10]);
421
422 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
423 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
424
425 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
426 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 12]);
427
428 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
429 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 13]);
430
431 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
432 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 14]);
433 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 14]);
434
435 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
436 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 15]);
437
438 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
439 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 16]);
440 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 16]);
441
442 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
443 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 17]);
444 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 17]);
445
446 }
447
448
449 VRR_I_d_s_f_s(
450 PRIM_INT__d_s_f_s,
451 PRIM_INT__p_s_f_s,
452 PRIM_INT__s_s_f_s,
453 PRIM_INT__p_s_d_s,
454 P_PA,
455 a_over_p,
456 aop_PQ,
457 one_over_2p,
458 one_over_2pq,
459 3);
460
461
462 VRR_K_s_s_g_s(
463 PRIM_INT__s_s_g_s,
464 PRIM_INT__s_s_f_s,
465 PRIM_INT__s_s_d_s,
466 Q_PA,
467 a_over_q,
468 aoq_PQ,
469 one_over_2q,
470 6);
471
472
473 VRR_I_p_s_g_s(
474 PRIM_INT__p_s_g_s,
475 PRIM_INT__s_s_g_s,
476 PRIM_INT__s_s_f_s,
477 P_PA,
478 aop_PQ,
479 one_over_2pq,
480 4);
481
482
483 ostei_general_vrr_I(2, 0, 4, 0, 3,
484 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
485 PRIM_INT__p_s_g_s, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_g_s);
486
487
488
489 // Forming PRIM_INT__p_s_p_s[4 * 9];
490 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
491 {
492
493 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
494 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
495 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]);
496
497 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
498 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 1]);
499
500 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
501 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 2]);
502
503 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
504 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 3]);
505
506 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
507 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
508 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]);
509
510 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
511 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 5]);
512
513 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
514 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 6]);
515
516 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
517 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 7]);
518
519 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
520 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
521 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]);
522
523 }
524
525
526 VRR_I_d_s_d_s(
527 PRIM_INT__d_s_d_s,
528 PRIM_INT__p_s_d_s,
529 PRIM_INT__s_s_d_s,
530 PRIM_INT__p_s_p_s,
531 P_PA,
532 a_over_p,
533 aop_PQ,
534 one_over_2p,
535 one_over_2pq,
536 3);
537
538
539 ostei_general_vrr_I(3, 0, 3, 0, 2,
540 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
541 PRIM_INT__d_s_f_s, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
542
543
544 VRR_K_s_s_h_s(
545 PRIM_INT__s_s_h_s,
546 PRIM_INT__s_s_g_s,
547 PRIM_INT__s_s_f_s,
548 Q_PA,
549 a_over_q,
550 aoq_PQ,
551 one_over_2q,
552 5);
553
554
555 ostei_general_vrr_I(1, 0, 5, 0, 4,
556 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
557 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
558
559
560 ostei_general_vrr_I(2, 0, 5, 0, 3,
561 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
562 PRIM_INT__p_s_h_s, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_h_s);
563
564
565 ostei_general_vrr_I(3, 0, 4, 0, 2,
566 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
567 PRIM_INT__d_s_g_s, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
568
569
570
571 // Forming PRIM_INT__p_s_s_s[4 * 3];
572 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
573 {
574
575 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
576 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]);
577
578 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
579 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]);
580
581 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
582 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]);
583
584 }
585
586
587
588 // Forming PRIM_INT__d_s_p_s[3 * 18];
589 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
590 {
591
592 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
593 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
594 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 0]);
595 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
596
597 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 1]);
598 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__d_s_p_s[n * 18 + 1]);
599 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 1]);
600
601 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 2]);
602 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__d_s_p_s[n * 18 + 2]);
603 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 2]);
604
605 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
606 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__d_s_p_s[n * 18 + 9]);
607 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 9]);
608
609 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
610 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__d_s_p_s[n * 18 + 10]);
611 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 10]);
612 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 10]);
613
614 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 5]);
615 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__d_s_p_s[n * 18 + 11]);
616 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 11]);
617
618 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 6]);
619 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__d_s_p_s[n * 18 + 15]);
620 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 15]);
621
622 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 7]);
623 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__d_s_p_s[n * 18 + 16]);
624 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 16]);
625
626 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
627 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__d_s_p_s[n * 18 + 17]);
628 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 17]);
629 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 17]);
630
631 }
632
633
634 VRR_I_f_s_d_s(
635 PRIM_INT__f_s_d_s,
636 PRIM_INT__d_s_d_s,
637 PRIM_INT__p_s_d_s,
638 PRIM_INT__d_s_p_s,
639 P_PA,
640 a_over_p,
641 aop_PQ,
642 one_over_2p,
643 one_over_2pq,
644 2);
645
646
647 ostei_general_vrr_I(4, 0, 3, 0, 1,
648 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
649 PRIM_INT__f_s_f_s, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_f_s);
650
651
652 ostei_general_vrr_I(3, 0, 5, 0, 2,
653 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
654 PRIM_INT__d_s_h_s, PRIM_INT__p_s_h_s, NULL, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_h_s);
655
656
657 ostei_general_vrr_I(4, 0, 4, 0, 1,
658 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
659 PRIM_INT__f_s_g_s, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
660
661
662 ostei_general_vrr_I(4, 0, 5, 0, 1,
663 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
664 PRIM_INT__f_s_h_s, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
665
666
667
668
669 ////////////////////////////////////
670 // Accumulate contracted integrals
671 ////////////////////////////////////
672 if(lastoffset == 0)
673 {
674 contract_all(60, PRIM_INT__d_s_f_s, PRIM_PTR_INT__d_s_f_s);
675 contract_all(90, PRIM_INT__d_s_g_s, PRIM_PTR_INT__d_s_g_s);
676 contract_all(126, PRIM_INT__d_s_h_s, PRIM_PTR_INT__d_s_h_s);
677 contract_all(100, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
678 contract_all(150, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
679 contract_all(210, PRIM_INT__f_s_h_s, PRIM_PTR_INT__f_s_h_s);
680 contract_all(150, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
681 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
682 contract_all(315, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
683 }
684 else
685 {
686 contract(60, shelloffsets, PRIM_INT__d_s_f_s, PRIM_PTR_INT__d_s_f_s);
687 contract(90, shelloffsets, PRIM_INT__d_s_g_s, PRIM_PTR_INT__d_s_g_s);
688 contract(126, shelloffsets, PRIM_INT__d_s_h_s, PRIM_PTR_INT__d_s_h_s);
689 contract(100, shelloffsets, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
690 contract(150, shelloffsets, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
691 contract(210, shelloffsets, PRIM_INT__f_s_h_s, PRIM_PTR_INT__f_s_h_s);
692 contract(150, shelloffsets, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
693 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
694 contract(315, shelloffsets, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
695 PRIM_PTR_INT__d_s_f_s += lastoffset*60;
696 PRIM_PTR_INT__d_s_g_s += lastoffset*90;
697 PRIM_PTR_INT__d_s_h_s += lastoffset*126;
698 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
699 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
700 PRIM_PTR_INT__f_s_h_s += lastoffset*210;
701 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
702 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
703 PRIM_PTR_INT__g_s_h_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__d_s_f_s = INT__d_s_f_s + abcd * 60;
726 double const * restrict HRR_INT__d_s_g_s = INT__d_s_g_s + abcd * 90;
727 double const * restrict HRR_INT__d_s_h_s = INT__d_s_h_s + abcd * 126;
728 double const * restrict HRR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
729 double const * restrict HRR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
730 double const * restrict HRR_INT__f_s_h_s = INT__f_s_h_s + abcd * 210;
731 double const * restrict HRR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
732 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
733 double const * restrict HRR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
734 double * restrict HRR_INT__d_d_f_d = INT__d_d_f_d + real_abcd * 2160;
735
736 // form INT__d_p_f_s
737 for(iket = 0; iket < 10; ++iket)
738 {
739 HRR_INT__d_p_f_s[0 * 10 + iket] = HRR_INT__f_s_f_s[0 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[0 * 10 + iket] );
740
741 HRR_INT__d_p_f_s[1 * 10 + iket] = HRR_INT__f_s_f_s[1 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[0 * 10 + iket] );
742
743 HRR_INT__d_p_f_s[2 * 10 + iket] = HRR_INT__f_s_f_s[2 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[0 * 10 + iket] );
744
745 HRR_INT__d_p_f_s[3 * 10 + iket] = HRR_INT__f_s_f_s[1 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[1 * 10 + iket] );
746
747 HRR_INT__d_p_f_s[4 * 10 + iket] = HRR_INT__f_s_f_s[3 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[1 * 10 + iket] );
748
749 HRR_INT__d_p_f_s[5 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[1 * 10 + iket] );
750
751 HRR_INT__d_p_f_s[6 * 10 + iket] = HRR_INT__f_s_f_s[2 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[2 * 10 + iket] );
752
753 HRR_INT__d_p_f_s[7 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[2 * 10 + iket] );
754
755 HRR_INT__d_p_f_s[8 * 10 + iket] = HRR_INT__f_s_f_s[5 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[2 * 10 + iket] );
756
757 HRR_INT__d_p_f_s[9 * 10 + iket] = HRR_INT__f_s_f_s[3 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[3 * 10 + iket] );
758
759 HRR_INT__d_p_f_s[10 * 10 + iket] = HRR_INT__f_s_f_s[6 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[3 * 10 + iket] );
760
761 HRR_INT__d_p_f_s[11 * 10 + iket] = HRR_INT__f_s_f_s[7 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[3 * 10 + iket] );
762
763 HRR_INT__d_p_f_s[12 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[4 * 10 + iket] );
764
765 HRR_INT__d_p_f_s[13 * 10 + iket] = HRR_INT__f_s_f_s[7 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[4 * 10 + iket] );
766
767 HRR_INT__d_p_f_s[14 * 10 + iket] = HRR_INT__f_s_f_s[8 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[4 * 10 + iket] );
768
769 HRR_INT__d_p_f_s[15 * 10 + iket] = HRR_INT__f_s_f_s[5 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[5 * 10 + iket] );
770
771 HRR_INT__d_p_f_s[16 * 10 + iket] = HRR_INT__f_s_f_s[8 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[5 * 10 + iket] );
772
773 HRR_INT__d_p_f_s[17 * 10 + iket] = HRR_INT__f_s_f_s[9 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[5 * 10 + iket] );
774
775 }
776
777
778 // form INT__d_p_g_s
779 for(iket = 0; iket < 15; ++iket)
780 {
781 HRR_INT__d_p_g_s[0 * 15 + iket] = HRR_INT__f_s_g_s[0 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[0 * 15 + iket] );
782
783 HRR_INT__d_p_g_s[1 * 15 + iket] = HRR_INT__f_s_g_s[1 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[0 * 15 + iket] );
784
785 HRR_INT__d_p_g_s[2 * 15 + iket] = HRR_INT__f_s_g_s[2 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[0 * 15 + iket] );
786
787 HRR_INT__d_p_g_s[3 * 15 + iket] = HRR_INT__f_s_g_s[1 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[1 * 15 + iket] );
788
789 HRR_INT__d_p_g_s[4 * 15 + iket] = HRR_INT__f_s_g_s[3 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[1 * 15 + iket] );
790
791 HRR_INT__d_p_g_s[5 * 15 + iket] = HRR_INT__f_s_g_s[4 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[1 * 15 + iket] );
792
793 HRR_INT__d_p_g_s[6 * 15 + iket] = HRR_INT__f_s_g_s[2 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[2 * 15 + iket] );
794
795 HRR_INT__d_p_g_s[7 * 15 + iket] = HRR_INT__f_s_g_s[4 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[2 * 15 + iket] );
796
797 HRR_INT__d_p_g_s[8 * 15 + iket] = HRR_INT__f_s_g_s[5 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[2 * 15 + iket] );
798
799 HRR_INT__d_p_g_s[9 * 15 + iket] = HRR_INT__f_s_g_s[3 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[3 * 15 + iket] );
800
801 HRR_INT__d_p_g_s[10 * 15 + iket] = HRR_INT__f_s_g_s[6 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[3 * 15 + iket] );
802
803 HRR_INT__d_p_g_s[11 * 15 + iket] = HRR_INT__f_s_g_s[7 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[3 * 15 + iket] );
804
805 HRR_INT__d_p_g_s[12 * 15 + iket] = HRR_INT__f_s_g_s[4 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[4 * 15 + iket] );
806
807 HRR_INT__d_p_g_s[13 * 15 + iket] = HRR_INT__f_s_g_s[7 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[4 * 15 + iket] );
808
809 HRR_INT__d_p_g_s[14 * 15 + iket] = HRR_INT__f_s_g_s[8 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[4 * 15 + iket] );
810
811 HRR_INT__d_p_g_s[15 * 15 + iket] = HRR_INT__f_s_g_s[5 * 15 + iket] + ( hAB[0] * HRR_INT__d_s_g_s[5 * 15 + iket] );
812
813 HRR_INT__d_p_g_s[16 * 15 + iket] = HRR_INT__f_s_g_s[8 * 15 + iket] + ( hAB[1] * HRR_INT__d_s_g_s[5 * 15 + iket] );
814
815 HRR_INT__d_p_g_s[17 * 15 + iket] = HRR_INT__f_s_g_s[9 * 15 + iket] + ( hAB[2] * HRR_INT__d_s_g_s[5 * 15 + iket] );
816
817 }
818
819
820 // form INT__d_p_h_s
821 for(iket = 0; iket < 21; ++iket)
822 {
823 HRR_INT__d_p_h_s[0 * 21 + iket] = HRR_INT__f_s_h_s[0 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[0 * 21 + iket] );
824
825 HRR_INT__d_p_h_s[1 * 21 + iket] = HRR_INT__f_s_h_s[1 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[0 * 21 + iket] );
826
827 HRR_INT__d_p_h_s[2 * 21 + iket] = HRR_INT__f_s_h_s[2 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[0 * 21 + iket] );
828
829 HRR_INT__d_p_h_s[3 * 21 + iket] = HRR_INT__f_s_h_s[1 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[1 * 21 + iket] );
830
831 HRR_INT__d_p_h_s[4 * 21 + iket] = HRR_INT__f_s_h_s[3 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[1 * 21 + iket] );
832
833 HRR_INT__d_p_h_s[5 * 21 + iket] = HRR_INT__f_s_h_s[4 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[1 * 21 + iket] );
834
835 HRR_INT__d_p_h_s[6 * 21 + iket] = HRR_INT__f_s_h_s[2 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[2 * 21 + iket] );
836
837 HRR_INT__d_p_h_s[7 * 21 + iket] = HRR_INT__f_s_h_s[4 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[2 * 21 + iket] );
838
839 HRR_INT__d_p_h_s[8 * 21 + iket] = HRR_INT__f_s_h_s[5 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[2 * 21 + iket] );
840
841 HRR_INT__d_p_h_s[9 * 21 + iket] = HRR_INT__f_s_h_s[3 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[3 * 21 + iket] );
842
843 HRR_INT__d_p_h_s[10 * 21 + iket] = HRR_INT__f_s_h_s[6 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[3 * 21 + iket] );
844
845 HRR_INT__d_p_h_s[11 * 21 + iket] = HRR_INT__f_s_h_s[7 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[3 * 21 + iket] );
846
847 HRR_INT__d_p_h_s[12 * 21 + iket] = HRR_INT__f_s_h_s[4 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[4 * 21 + iket] );
848
849 HRR_INT__d_p_h_s[13 * 21 + iket] = HRR_INT__f_s_h_s[7 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[4 * 21 + iket] );
850
851 HRR_INT__d_p_h_s[14 * 21 + iket] = HRR_INT__f_s_h_s[8 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[4 * 21 + iket] );
852
853 HRR_INT__d_p_h_s[15 * 21 + iket] = HRR_INT__f_s_h_s[5 * 21 + iket] + ( hAB[0] * HRR_INT__d_s_h_s[5 * 21 + iket] );
854
855 HRR_INT__d_p_h_s[16 * 21 + iket] = HRR_INT__f_s_h_s[8 * 21 + iket] + ( hAB[1] * HRR_INT__d_s_h_s[5 * 21 + iket] );
856
857 HRR_INT__d_p_h_s[17 * 21 + iket] = HRR_INT__f_s_h_s[9 * 21 + iket] + ( hAB[2] * HRR_INT__d_s_h_s[5 * 21 + iket] );
858
859 }
860
861
862 // form INT__f_p_f_s
863 HRR_J_f_p(
864 HRR_INT__f_p_f_s,
865 HRR_INT__f_s_f_s,
866 HRR_INT__g_s_f_s,
867 hAB, 10);
868
869 // form INT__f_p_g_s
870 HRR_J_f_p(
871 HRR_INT__f_p_g_s,
872 HRR_INT__f_s_g_s,
873 HRR_INT__g_s_g_s,
874 hAB, 15);
875
876 // form INT__f_p_h_s
877 HRR_J_f_p(
878 HRR_INT__f_p_h_s,
879 HRR_INT__f_s_h_s,
880 HRR_INT__g_s_h_s,
881 hAB, 21);
882
883 // form INT__d_d_f_s
884 HRR_J_d_d(
885 HRR_INT__d_d_f_s,
886 HRR_INT__d_p_f_s,
887 HRR_INT__f_p_f_s,
888 hAB, 10);
889
890 // form INT__d_d_g_s
891 HRR_J_d_d(
892 HRR_INT__d_d_g_s,
893 HRR_INT__d_p_g_s,
894 HRR_INT__f_p_g_s,
895 hAB, 15);
896
897 // form INT__d_d_h_s
898 HRR_J_d_d(
899 HRR_INT__d_d_h_s,
900 HRR_INT__d_p_h_s,
901 HRR_INT__f_p_h_s,
902 hAB, 21);
903
904 // form INT__d_d_f_p
905 HRR_L_f_p(
906 HRR_INT__d_d_f_p,
907 HRR_INT__d_d_f_s,
908 HRR_INT__d_d_g_s,
909 hCD, 36);
910
911 // form INT__d_d_g_p
912 HRR_L_g_p(
913 HRR_INT__d_d_g_p,
914 HRR_INT__d_d_g_s,
915 HRR_INT__d_d_h_s,
916 hCD, 36);
917
918 // form INT__d_d_f_d
919 HRR_L_f_d(
920 HRR_INT__d_d_f_d,
921 HRR_INT__d_d_f_p,
922 HRR_INT__d_d_g_p,
923 hCD, 36);
924
925
926 } // close HRR loop
927
928
929 } // close loop cdbatch
930
931 istart = iend;
932 } // close loop over ab
933
934 return P.nshell12_clip * Q.nshell12_clip;
935 }
936
937