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_g_p_g_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_p_g_g)8 int ostei_g_p_g_g(struct simint_multi_shellpair const P,
9 struct simint_multi_shellpair const Q,
10 double screen_tol,
11 double * const restrict work,
12 double * const restrict INT__g_p_g_g)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__g_p_g_g);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26 int ibra;
27
28 // partition workspace
29 double * const INT__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__g_s_h_s = work + (SIMINT_NSHELL_SIMD * 225);
31 double * const INT__g_s_i_s = work + (SIMINT_NSHELL_SIMD * 540);
32 double * const INT__g_s_k_s = work + (SIMINT_NSHELL_SIMD * 960);
33 double * const INT__g_s_l_s = work + (SIMINT_NSHELL_SIMD * 1500);
34 double * const INT__h_s_g_s = work + (SIMINT_NSHELL_SIMD * 2175);
35 double * const INT__h_s_h_s = work + (SIMINT_NSHELL_SIMD * 2490);
36 double * const INT__h_s_i_s = work + (SIMINT_NSHELL_SIMD * 2931);
37 double * const INT__h_s_k_s = work + (SIMINT_NSHELL_SIMD * 3519);
38 double * const INT__h_s_l_s = work + (SIMINT_NSHELL_SIMD * 4275);
39 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*5220);
40 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 14;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 53;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 125;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 235;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 385;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 574;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 798;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_l_s = primwork + 1050;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 1320;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 1335;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 1380;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 1470;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 1620;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 1845;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 2160;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 2580;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_l_s = primwork + 3120;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 3795;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 3867;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 4011;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 4251;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 4611;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 5115;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 5787;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_l_s = primwork + 6651;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 7731;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 7911;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 8211;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 8661;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 9291;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 10131;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_l_s = primwork + 11211;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 12561;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 12861;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 13311;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 13941;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 14781;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_l_s = primwork + 15861;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 17211;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 17526;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 17967;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 18555;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_l_s = primwork + 19311;
84 double * const hrrwork = (double *)(primwork + 20256);
85 double * const HRR_INT__g_p_g_s = hrrwork + 0;
86 double * const HRR_INT__g_p_g_p = hrrwork + 675;
87 double * const HRR_INT__g_p_g_d = hrrwork + 2700;
88 double * const HRR_INT__g_p_g_f = hrrwork + 6750;
89 double * const HRR_INT__g_p_h_s = hrrwork + 13500;
90 double * const HRR_INT__g_p_h_p = hrrwork + 14445;
91 double * const HRR_INT__g_p_h_d = hrrwork + 17280;
92 double * const HRR_INT__g_p_h_f = hrrwork + 22950;
93 double * const HRR_INT__g_p_i_s = hrrwork + 32400;
94 double * const HRR_INT__g_p_i_p = hrrwork + 33660;
95 double * const HRR_INT__g_p_i_d = hrrwork + 37440;
96 double * const HRR_INT__g_p_k_s = hrrwork + 45000;
97 double * const HRR_INT__g_p_k_p = hrrwork + 46620;
98 double * const HRR_INT__g_p_l_s = hrrwork + 51480;
99
100
101 // Create constants
102 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
103 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
104 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
105 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
106 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
107 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
108 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
109 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
110 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
111
112
113 ////////////////////////////////////////
114 // Loop over shells and primitives
115 ////////////////////////////////////////
116
117 real_abcd = 0;
118 istart = 0;
119 for(ab = 0; ab < P.nshell12_clip; ++ab)
120 {
121 const int iend = istart + P.nprim12[ab];
122
123 cd = 0;
124 jstart = 0;
125
126 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
127 {
128 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
129 int jend = jstart;
130 for(i = 0; i < nshellbatch; i++)
131 jend += Q.nprim12[cd+i];
132
133 // Clear the beginning of the workspace (where we are accumulating integrals)
134 memset(work, 0, SIMINT_NSHELL_SIMD * 5220 * sizeof(double));
135 abcd = 0;
136
137
138 for(i = istart; i < iend; ++i)
139 {
140 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
141
142 if(check_screen)
143 {
144 // Skip this whole thing if always insignificant
145 if((P.screen[i] * Q.screen_max) < screen_tol)
146 continue;
147 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
148 }
149
150 icd = 0;
151 iprimcd = 0;
152 nprim_icd = Q.nprim12[cd];
153 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
154 double * restrict PRIM_PTR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
155 double * restrict PRIM_PTR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
156 double * restrict PRIM_PTR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
157 double * restrict PRIM_PTR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
158 double * restrict PRIM_PTR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
159 double * restrict PRIM_PTR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
160 double * restrict PRIM_PTR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
161 double * restrict PRIM_PTR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
162 double * restrict PRIM_PTR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
163
164
165
166 // Load these one per loop over i
167 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
168 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
169 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
170
171 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
172
173 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
174 {
175 // calculate the shell offsets
176 // these are the offset from the shell pointed to by cd
177 // for each element
178 int shelloffsets[SIMINT_SIMD_LEN] = {0};
179 int lastoffset = 0;
180 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
181
182 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
183 {
184 // Handle if the first element of the vector is a new shell
185 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
186 {
187 nprim_icd += Q.nprim12[cd + (++icd)];
188 PRIM_PTR_INT__g_s_g_s += 225;
189 PRIM_PTR_INT__g_s_h_s += 315;
190 PRIM_PTR_INT__g_s_i_s += 420;
191 PRIM_PTR_INT__g_s_k_s += 540;
192 PRIM_PTR_INT__g_s_l_s += 675;
193 PRIM_PTR_INT__h_s_g_s += 315;
194 PRIM_PTR_INT__h_s_h_s += 441;
195 PRIM_PTR_INT__h_s_i_s += 588;
196 PRIM_PTR_INT__h_s_k_s += 756;
197 PRIM_PTR_INT__h_s_l_s += 945;
198 }
199 iprimcd++;
200 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
201 {
202 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
203 {
204 shelloffsets[n] = shelloffsets[n-1] + 1;
205 lastoffset++;
206 nprim_icd += Q.nprim12[cd + (++icd)];
207 }
208 else
209 shelloffsets[n] = shelloffsets[n-1];
210 iprimcd++;
211 }
212 }
213 else
214 iprimcd += SIMINT_SIMD_LEN;
215
216 // Do we have to compute this vector (or has it been screened out)?
217 // (not_screened != 0 means we have to do this vector)
218 if(check_screen)
219 {
220 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
221 if(vmax < screen_tol)
222 {
223 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
224 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
225 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
226 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
227 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
228 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
229 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
230 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
231 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
232 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
233 continue;
234 }
235 }
236
237 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
238 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
239 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
240 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
241
242
243 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
244 SIMINT_DBLTYPE PQ[3];
245 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
246 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
247 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
248 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
249 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
250 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
251
252 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
253 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
254 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
255 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
256 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
257 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
258 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
259
260 // NOTE: Minus sign!
261 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
262 SIMINT_DBLTYPE aop_PQ[3];
263 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
264 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
265 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
266
267 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
268 SIMINT_DBLTYPE aoq_PQ[3];
269 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
270 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
271 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
272 // Put a minus sign here so we don't have to in RR routines
273 a_over_q = SIMINT_NEG(a_over_q);
274
275
276 //////////////////////////////////////////////
277 // Fjt function section
278 // Maximum v value: 13
279 //////////////////////////////////////////////
280 // The parameter to the Fjt function
281 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
282
283
284 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
285
286
287 boys_F_split(PRIM_INT__s_s_s_s, F_x, 13);
288 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
289 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
290 for(n = 0; n <= 13; n++)
291 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
292
293 //////////////////////////////////////////////
294 // Primitive integrals: Vertical recurrance
295 //////////////////////////////////////////////
296
297 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
298 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
299 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
300 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
301 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
302 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
303 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
304 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
305 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
306 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
307 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
308 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
309 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
310 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
311 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
312 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
313 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
314 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
315 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
316
317
318
319 // Forming PRIM_INT__s_s_p_s[13 * 3];
320 for(n = 0; n < 13; ++n) // loop over orders of auxiliary function
321 {
322
323 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
324 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]);
325
326 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
327 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]);
328
329 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
330 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]);
331
332 }
333
334
335
336 // Forming PRIM_INT__s_s_d_s[12 * 6];
337 for(n = 0; n < 12; ++n) // loop over orders of auxiliary function
338 {
339
340 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
341 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]);
342 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]);
343
344 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
345 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]);
346
347 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
348 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]);
349
350 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
351 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]);
352 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]);
353
354 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
355 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]);
356
357 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
358 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]);
359 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]);
360
361 }
362
363
364
365 // Forming PRIM_INT__s_s_f_s[11 * 10];
366 for(n = 0; n < 11; ++n) // loop over orders of auxiliary function
367 {
368
369 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
370 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]);
371 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]);
372
373 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
374 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]);
375
376 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
377 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]);
378
379 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
380 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]);
381
382 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
383 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]);
384
385 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
386 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]);
387
388 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
389 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]);
390 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]);
391
392 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
393 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]);
394
395 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
396 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]);
397
398 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
399 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]);
400 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]);
401
402 }
403
404
405 VRR_K_s_s_g_s(
406 PRIM_INT__s_s_g_s,
407 PRIM_INT__s_s_f_s,
408 PRIM_INT__s_s_d_s,
409 Q_PA,
410 a_over_q,
411 aoq_PQ,
412 one_over_2q,
413 10);
414
415
416 VRR_I_p_s_g_s(
417 PRIM_INT__p_s_g_s,
418 PRIM_INT__s_s_g_s,
419 PRIM_INT__s_s_f_s,
420 P_PA,
421 aop_PQ,
422 one_over_2pq,
423 5);
424
425
426 VRR_I_p_s_f_s(
427 PRIM_INT__p_s_f_s,
428 PRIM_INT__s_s_f_s,
429 PRIM_INT__s_s_d_s,
430 P_PA,
431 aop_PQ,
432 one_over_2pq,
433 5);
434
435
436 ostei_general_vrr_I(2, 0, 4, 0, 4,
437 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
438 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);
439
440
441
442 // Forming PRIM_INT__p_s_d_s[5 * 18];
443 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
444 {
445
446 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
447 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]);
448 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]);
449
450 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
451 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]);
452 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]);
453
454 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
455 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]);
456 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]);
457
458 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
459 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]);
460
461 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
462 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]);
463
464 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
465 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]);
466
467 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
468 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]);
469
470 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
471 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]);
472 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]);
473
474 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
475 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]);
476
477 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
478 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]);
479 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]);
480
481 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
482 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]);
483 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]);
484
485 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
486 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]);
487
488 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
489 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]);
490
491 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
492 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]);
493
494 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
495 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]);
496 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]);
497
498 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
499 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]);
500
501 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
502 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]);
503 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]);
504
505 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
506 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]);
507 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]);
508
509 }
510
511
512 VRR_I_d_s_f_s(
513 PRIM_INT__d_s_f_s,
514 PRIM_INT__p_s_f_s,
515 PRIM_INT__s_s_f_s,
516 PRIM_INT__p_s_d_s,
517 P_PA,
518 a_over_p,
519 aop_PQ,
520 one_over_2p,
521 one_over_2pq,
522 4);
523
524
525 ostei_general_vrr_I(3, 0, 4, 0, 3,
526 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
527 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);
528
529
530
531 // Forming PRIM_INT__p_s_p_s[5 * 9];
532 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
533 {
534
535 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
536 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]);
537 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]);
538
539 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
540 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]);
541
542 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
543 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]);
544
545 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
546 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]);
547
548 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
549 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]);
550 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]);
551
552 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
553 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]);
554
555 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
556 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]);
557
558 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
559 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]);
560
561 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
562 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]);
563 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]);
564
565 }
566
567
568 VRR_I_d_s_d_s(
569 PRIM_INT__d_s_d_s,
570 PRIM_INT__p_s_d_s,
571 PRIM_INT__s_s_d_s,
572 PRIM_INT__p_s_p_s,
573 P_PA,
574 a_over_p,
575 aop_PQ,
576 one_over_2p,
577 one_over_2pq,
578 4);
579
580
581 ostei_general_vrr_I(3, 0, 3, 0, 3,
582 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
583 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);
584
585
586 ostei_general_vrr_I(4, 0, 4, 0, 2,
587 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
588 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);
589
590
591 VRR_K_s_s_h_s(
592 PRIM_INT__s_s_h_s,
593 PRIM_INT__s_s_g_s,
594 PRIM_INT__s_s_f_s,
595 Q_PA,
596 a_over_q,
597 aoq_PQ,
598 one_over_2q,
599 9);
600
601
602 ostei_general_vrr_I(1, 0, 5, 0, 5,
603 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
604 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
605
606
607 ostei_general_vrr_I(2, 0, 5, 0, 4,
608 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
609 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);
610
611
612 ostei_general_vrr_I(3, 0, 5, 0, 3,
613 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
614 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);
615
616
617 ostei_general_vrr_I(4, 0, 5, 0, 2,
618 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
619 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);
620
621
622
623 // Forming PRIM_INT__p_s_s_s[5 * 3];
624 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
625 {
626
627 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
628 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]);
629
630 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
631 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]);
632
633 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
634 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]);
635
636 }
637
638
639
640 // Forming PRIM_INT__d_s_p_s[4 * 18];
641 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
642 {
643
644 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
645 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]);
646 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]);
647 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]);
648
649 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 1]);
650 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]);
651 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]);
652
653 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 2]);
654 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]);
655 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]);
656
657 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
658 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]);
659 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]);
660
661 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
662 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]);
663 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]);
664 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]);
665
666 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 5]);
667 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]);
668 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]);
669
670 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 6]);
671 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]);
672 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]);
673
674 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 7]);
675 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]);
676 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]);
677
678 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
679 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]);
680 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]);
681 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]);
682
683 }
684
685
686 VRR_I_f_s_d_s(
687 PRIM_INT__f_s_d_s,
688 PRIM_INT__d_s_d_s,
689 PRIM_INT__p_s_d_s,
690 PRIM_INT__d_s_p_s,
691 P_PA,
692 a_over_p,
693 aop_PQ,
694 one_over_2p,
695 one_over_2pq,
696 3);
697
698
699 ostei_general_vrr_I(4, 0, 3, 0, 2,
700 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
701 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);
702
703
704 ostei_general_vrr_I(5, 0, 4, 0, 1,
705 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
706 PRIM_INT__g_s_g_s, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
707
708
709 ostei_general_vrr1_K(6, 8,
710 one_over_2q, a_over_q, aoq_PQ, Q_PA,
711 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
712
713
714 ostei_general_vrr_I(1, 0, 6, 0, 5,
715 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
716 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
717
718
719 ostei_general_vrr_I(2, 0, 6, 0, 4,
720 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
721 PRIM_INT__p_s_i_s, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_h_s, NULL, PRIM_INT__d_s_i_s);
722
723
724 ostei_general_vrr_I(3, 0, 6, 0, 3,
725 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
726 PRIM_INT__d_s_i_s, PRIM_INT__p_s_i_s, NULL, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_i_s);
727
728
729 ostei_general_vrr_I(4, 0, 6, 0, 2,
730 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
731 PRIM_INT__f_s_i_s, PRIM_INT__d_s_i_s, NULL, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_i_s);
732
733
734 ostei_general_vrr_I(5, 0, 5, 0, 1,
735 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
736 PRIM_INT__g_s_h_s, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
737
738
739 ostei_general_vrr1_K(7, 7,
740 one_over_2q, a_over_q, aoq_PQ, Q_PA,
741 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
742
743
744 ostei_general_vrr_I(1, 0, 7, 0, 5,
745 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
746 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
747
748
749 ostei_general_vrr_I(2, 0, 7, 0, 4,
750 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
751 PRIM_INT__p_s_k_s, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_i_s, NULL, PRIM_INT__d_s_k_s);
752
753
754 ostei_general_vrr_I(3, 0, 7, 0, 3,
755 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
756 PRIM_INT__d_s_k_s, PRIM_INT__p_s_k_s, NULL, PRIM_INT__d_s_i_s, NULL, PRIM_INT__f_s_k_s);
757
758
759 ostei_general_vrr_I(4, 0, 7, 0, 2,
760 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
761 PRIM_INT__f_s_k_s, PRIM_INT__d_s_k_s, NULL, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_k_s);
762
763
764 ostei_general_vrr_I(5, 0, 6, 0, 1,
765 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
766 PRIM_INT__g_s_i_s, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_i_s);
767
768
769 ostei_general_vrr1_K(8, 6,
770 one_over_2q, a_over_q, aoq_PQ, Q_PA,
771 PRIM_INT__s_s_k_s, PRIM_INT__s_s_i_s, PRIM_INT__s_s_l_s);
772
773
774 ostei_general_vrr_I(1, 0, 8, 0, 5,
775 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
776 PRIM_INT__s_s_l_s, NULL, NULL, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_l_s);
777
778
779 ostei_general_vrr_I(2, 0, 8, 0, 4,
780 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
781 PRIM_INT__p_s_l_s, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_k_s, NULL, PRIM_INT__d_s_l_s);
782
783
784 ostei_general_vrr_I(3, 0, 8, 0, 3,
785 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
786 PRIM_INT__d_s_l_s, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_k_s, NULL, PRIM_INT__f_s_l_s);
787
788
789 ostei_general_vrr_I(4, 0, 8, 0, 2,
790 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
791 PRIM_INT__f_s_l_s, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_k_s, NULL, PRIM_INT__g_s_l_s);
792
793
794 ostei_general_vrr_I(5, 0, 7, 0, 1,
795 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
796 PRIM_INT__g_s_k_s, PRIM_INT__f_s_k_s, NULL, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_k_s);
797
798
799 ostei_general_vrr_I(5, 0, 8, 0, 1,
800 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
801 PRIM_INT__g_s_l_s, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_l_s);
802
803
804
805
806 ////////////////////////////////////
807 // Accumulate contracted integrals
808 ////////////////////////////////////
809 if(lastoffset == 0)
810 {
811 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
812 contract_all(315, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
813 contract_all(420, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
814 contract_all(540, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
815 contract_all(675, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
816 contract_all(315, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
817 contract_all(441, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
818 contract_all(588, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
819 contract_all(756, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
820 contract_all(945, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
821 }
822 else
823 {
824 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
825 contract(315, shelloffsets, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
826 contract(420, shelloffsets, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
827 contract(540, shelloffsets, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
828 contract(675, shelloffsets, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
829 contract(315, shelloffsets, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
830 contract(441, shelloffsets, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
831 contract(588, shelloffsets, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
832 contract(756, shelloffsets, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
833 contract(945, shelloffsets, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
834 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
835 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
836 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
837 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
838 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
839 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
840 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
841 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
842 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
843 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
844 }
845
846 } // close loop over j
847 } // close loop over i
848
849 //Advance to the next batch
850 jstart = SIMINT_SIMD_ROUND(jend);
851
852 //////////////////////////////////////////////
853 // Contracted integrals: Horizontal recurrance
854 //////////////////////////////////////////////
855
856
857 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
858
859
860 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
861 {
862 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
863
864 // set up HRR pointers
865 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
866 double const * restrict HRR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
867 double const * restrict HRR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
868 double const * restrict HRR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
869 double const * restrict HRR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
870 double const * restrict HRR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
871 double const * restrict HRR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
872 double const * restrict HRR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
873 double const * restrict HRR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
874 double const * restrict HRR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
875 double * restrict HRR_INT__g_p_g_g = INT__g_p_g_g + real_abcd * 10125;
876
877 // form INT__g_p_g_s
878 HRR_J_g_p(
879 HRR_INT__g_p_g_s,
880 HRR_INT__g_s_g_s,
881 HRR_INT__h_s_g_s,
882 hAB, 15);
883
884 // form INT__g_p_h_s
885 HRR_J_g_p(
886 HRR_INT__g_p_h_s,
887 HRR_INT__g_s_h_s,
888 HRR_INT__h_s_h_s,
889 hAB, 21);
890
891 // form INT__g_p_i_s
892 HRR_J_g_p(
893 HRR_INT__g_p_i_s,
894 HRR_INT__g_s_i_s,
895 HRR_INT__h_s_i_s,
896 hAB, 28);
897
898 // form INT__g_p_k_s
899 HRR_J_g_p(
900 HRR_INT__g_p_k_s,
901 HRR_INT__g_s_k_s,
902 HRR_INT__h_s_k_s,
903 hAB, 36);
904
905 // form INT__g_p_l_s
906 HRR_J_g_p(
907 HRR_INT__g_p_l_s,
908 HRR_INT__g_s_l_s,
909 HRR_INT__h_s_l_s,
910 hAB, 45);
911
912 // form INT__g_p_g_p
913 HRR_L_g_p(
914 HRR_INT__g_p_g_p,
915 HRR_INT__g_p_g_s,
916 HRR_INT__g_p_h_s,
917 hCD, 45);
918
919 // form INT__g_p_h_p
920 ostei_general_hrr_L(4, 1, 5, 1, hCD, HRR_INT__g_p_i_s, HRR_INT__g_p_h_s, HRR_INT__g_p_h_p);
921
922 // form INT__g_p_i_p
923 ostei_general_hrr_L(4, 1, 6, 1, hCD, HRR_INT__g_p_k_s, HRR_INT__g_p_i_s, HRR_INT__g_p_i_p);
924
925 // form INT__g_p_k_p
926 ostei_general_hrr_L(4, 1, 7, 1, hCD, HRR_INT__g_p_l_s, HRR_INT__g_p_k_s, HRR_INT__g_p_k_p);
927
928 // form INT__g_p_g_d
929 ostei_general_hrr_L(4, 1, 4, 2, hCD, HRR_INT__g_p_h_p, HRR_INT__g_p_g_p, HRR_INT__g_p_g_d);
930
931 // form INT__g_p_h_d
932 ostei_general_hrr_L(4, 1, 5, 2, hCD, HRR_INT__g_p_i_p, HRR_INT__g_p_h_p, HRR_INT__g_p_h_d);
933
934 // form INT__g_p_i_d
935 ostei_general_hrr_L(4, 1, 6, 2, hCD, HRR_INT__g_p_k_p, HRR_INT__g_p_i_p, HRR_INT__g_p_i_d);
936
937 // form INT__g_p_g_f
938 ostei_general_hrr_L(4, 1, 4, 3, hCD, HRR_INT__g_p_h_d, HRR_INT__g_p_g_d, HRR_INT__g_p_g_f);
939
940 // form INT__g_p_h_f
941 ostei_general_hrr_L(4, 1, 5, 3, hCD, HRR_INT__g_p_i_d, HRR_INT__g_p_h_d, HRR_INT__g_p_h_f);
942
943 // form INT__g_p_g_g
944 ostei_general_hrr_L(4, 1, 4, 4, hCD, HRR_INT__g_p_h_f, HRR_INT__g_p_g_f, HRR_INT__g_p_g_g);
945
946
947 } // close HRR loop
948
949
950 } // close loop cdbatch
951
952 istart = iend;
953 } // close loop over ab
954
955 return P.nshell12_clip * Q.nshell12_clip;
956 }
957
ostei_p_g_g_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__p_g_g_g)958 int ostei_p_g_g_g(struct simint_multi_shellpair const P,
959 struct simint_multi_shellpair const Q,
960 double screen_tol,
961 double * const restrict work,
962 double * const restrict INT__p_g_g_g)
963 {
964 double P_AB[3*P.nshell12];
965 struct simint_multi_shellpair P_tmp = P;
966 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
967 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
968 P_tmp.AB_x = P_AB;
969 P_tmp.AB_y = P_AB + P.nshell12;
970 P_tmp.AB_z = P_AB + 2*P.nshell12;
971
972 for(int i = 0; i < P.nshell12; i++)
973 {
974 P_tmp.AB_x[i] = -P.AB_x[i];
975 P_tmp.AB_y[i] = -P.AB_y[i];
976 P_tmp.AB_z[i] = -P.AB_z[i];
977 }
978
979 int ret = ostei_g_p_g_g(P_tmp, Q, screen_tol, work, INT__p_g_g_g);
980 double buffer[10125] SIMINT_ALIGN_ARRAY_DBL;
981
982 for(int q = 0; q < ret; q++)
983 {
984 int idx = 0;
985 for(int a = 0; a < 3; ++a)
986 for(int b = 0; b < 15; ++b)
987 for(int c = 0; c < 15; ++c)
988 for(int d = 0; d < 15; ++d)
989 buffer[idx++] = INT__p_g_g_g[q*10125+b*675+a*225+c*15+d];
990
991 memcpy(INT__p_g_g_g+q*10125, buffer, 10125*sizeof(double));
992 }
993
994 return ret;
995 }
996
997