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_f_k_f(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_f_k_f)8 int ostei_g_f_k_f(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_f_k_f)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__g_f_k_f);
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_k_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__g_s_l_s = work + (SIMINT_NSHELL_SIMD * 540);
31 double * const INT__g_s_m_s = work + (SIMINT_NSHELL_SIMD * 1215);
32 double * const INT__g_s_n_s = work + (SIMINT_NSHELL_SIMD * 2040);
33 double * const INT__h_s_k_s = work + (SIMINT_NSHELL_SIMD * 3030);
34 double * const INT__h_s_l_s = work + (SIMINT_NSHELL_SIMD * 3786);
35 double * const INT__h_s_m_s = work + (SIMINT_NSHELL_SIMD * 4731);
36 double * const INT__h_s_n_s = work + (SIMINT_NSHELL_SIMD * 5886);
37 double * const INT__i_s_k_s = work + (SIMINT_NSHELL_SIMD * 7272);
38 double * const INT__i_s_l_s = work + (SIMINT_NSHELL_SIMD * 8280);
39 double * const INT__i_s_m_s = work + (SIMINT_NSHELL_SIMD * 9540);
40 double * const INT__i_s_n_s = work + (SIMINT_NSHELL_SIMD * 11080);
41 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 12928);
42 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 14224);
43 double * const INT__k_s_m_s = work + (SIMINT_NSHELL_SIMD * 15844);
44 double * const INT__k_s_n_s = work + (SIMINT_NSHELL_SIMD * 17824);
45 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*20200);
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 18;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 69;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 165;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 315;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 525;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 798;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 1134;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_l_s = primwork + 1530;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_m_s = primwork + 1980;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_n_s = primwork + 2475;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 3003;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 3066;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 3192;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 3402;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 3717;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 4158;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 4746;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_l_s = primwork + 5502;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_m_s = primwork + 6447;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_n_s = primwork + 7602;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 8988;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 9204;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 9564;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 10104;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 10860;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 11868;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_l_s = primwork + 13164;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_m_s = primwork + 14784;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_n_s = primwork + 16764;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 19140;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 19640;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 20390;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 21440;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 22840;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_l_s = primwork + 24640;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_m_s = primwork + 26890;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_n_s = primwork + 29640;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 32940;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 33840;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 35100;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 36780;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_l_s = primwork + 38940;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_m_s = primwork + 41640;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_n_s = primwork + 44940;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 48900;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 50223;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 51987;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_l_s = primwork + 54255;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_m_s = primwork + 57090;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_n_s = primwork + 60555;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 64713;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 66281;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_l_s = primwork + 68297;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_m_s = primwork + 70817;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_n_s = primwork + 73897;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 77593;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 78889;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_m_s = primwork + 80509;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_n_s = primwork + 82489;
106 double * const hrrwork = (double *)(primwork + 84865);
107 double * const HRR_INT__g_p_k_s = hrrwork + 0;
108 double * const HRR_INT__g_p_l_s = hrrwork + 1620;
109 double * const HRR_INT__g_p_m_s = hrrwork + 3645;
110 double * const HRR_INT__g_p_n_s = hrrwork + 6120;
111 double * const HRR_INT__g_d_k_s = hrrwork + 9090;
112 double * const HRR_INT__g_d_l_s = hrrwork + 12330;
113 double * const HRR_INT__g_d_m_s = hrrwork + 16380;
114 double * const HRR_INT__g_d_n_s = hrrwork + 21330;
115 double * const HRR_INT__g_f_k_s = hrrwork + 27270;
116 double * const HRR_INT__g_f_k_p = hrrwork + 32670;
117 double * const HRR_INT__g_f_k_d = hrrwork + 48870;
118 double * const HRR_INT__g_f_l_s = hrrwork + 81270;
119 double * const HRR_INT__g_f_l_p = hrrwork + 88020;
120 double * const HRR_INT__g_f_l_d = hrrwork + 108270;
121 double * const HRR_INT__g_f_m_s = hrrwork + 148770;
122 double * const HRR_INT__g_f_m_p = hrrwork + 157020;
123 double * const HRR_INT__g_f_n_s = hrrwork + 181770;
124 double * const HRR_INT__h_p_k_s = hrrwork + 191670;
125 double * const HRR_INT__h_p_l_s = hrrwork + 193938;
126 double * const HRR_INT__h_p_m_s = hrrwork + 196773;
127 double * const HRR_INT__h_p_n_s = hrrwork + 200238;
128 double * const HRR_INT__h_d_k_s = hrrwork + 204396;
129 double * const HRR_INT__h_d_l_s = hrrwork + 208932;
130 double * const HRR_INT__h_d_m_s = hrrwork + 214602;
131 double * const HRR_INT__h_d_n_s = hrrwork + 221532;
132 double * const HRR_INT__i_p_k_s = hrrwork + 229848;
133 double * const HRR_INT__i_p_l_s = hrrwork + 232872;
134 double * const HRR_INT__i_p_m_s = hrrwork + 236652;
135 double * const HRR_INT__i_p_n_s = hrrwork + 241272;
136
137
138 // Create constants
139 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
140 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
141 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
142 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
143 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
144 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
145 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
146 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
147 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
148 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
149 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
150
151
152 ////////////////////////////////////////
153 // Loop over shells and primitives
154 ////////////////////////////////////////
155
156 real_abcd = 0;
157 istart = 0;
158 for(ab = 0; ab < P.nshell12_clip; ++ab)
159 {
160 const int iend = istart + P.nprim12[ab];
161
162 cd = 0;
163 jstart = 0;
164
165 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
166 {
167 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
168 int jend = jstart;
169 for(i = 0; i < nshellbatch; i++)
170 jend += Q.nprim12[cd+i];
171
172 // Clear the beginning of the workspace (where we are accumulating integrals)
173 memset(work, 0, SIMINT_NSHELL_SIMD * 20200 * sizeof(double));
174 abcd = 0;
175
176
177 for(i = istart; i < iend; ++i)
178 {
179 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
180
181 if(check_screen)
182 {
183 // Skip this whole thing if always insignificant
184 if((P.screen[i] * Q.screen_max) < screen_tol)
185 continue;
186 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
187 }
188
189 icd = 0;
190 iprimcd = 0;
191 nprim_icd = Q.nprim12[cd];
192 double * restrict PRIM_PTR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
193 double * restrict PRIM_PTR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
194 double * restrict PRIM_PTR_INT__g_s_m_s = INT__g_s_m_s + abcd * 825;
195 double * restrict PRIM_PTR_INT__g_s_n_s = INT__g_s_n_s + abcd * 990;
196 double * restrict PRIM_PTR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
197 double * restrict PRIM_PTR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
198 double * restrict PRIM_PTR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
199 double * restrict PRIM_PTR_INT__h_s_n_s = INT__h_s_n_s + abcd * 1386;
200 double * restrict PRIM_PTR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
201 double * restrict PRIM_PTR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
202 double * restrict PRIM_PTR_INT__i_s_m_s = INT__i_s_m_s + abcd * 1540;
203 double * restrict PRIM_PTR_INT__i_s_n_s = INT__i_s_n_s + abcd * 1848;
204 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
205 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
206 double * restrict PRIM_PTR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
207 double * restrict PRIM_PTR_INT__k_s_n_s = INT__k_s_n_s + abcd * 2376;
208
209
210
211 // Load these one per loop over i
212 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
213 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
214 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
215
216 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
217
218 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
219 {
220 // calculate the shell offsets
221 // these are the offset from the shell pointed to by cd
222 // for each element
223 int shelloffsets[SIMINT_SIMD_LEN] = {0};
224 int lastoffset = 0;
225 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
226
227 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
228 {
229 // Handle if the first element of the vector is a new shell
230 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
231 {
232 nprim_icd += Q.nprim12[cd + (++icd)];
233 PRIM_PTR_INT__g_s_k_s += 540;
234 PRIM_PTR_INT__g_s_l_s += 675;
235 PRIM_PTR_INT__g_s_m_s += 825;
236 PRIM_PTR_INT__g_s_n_s += 990;
237 PRIM_PTR_INT__h_s_k_s += 756;
238 PRIM_PTR_INT__h_s_l_s += 945;
239 PRIM_PTR_INT__h_s_m_s += 1155;
240 PRIM_PTR_INT__h_s_n_s += 1386;
241 PRIM_PTR_INT__i_s_k_s += 1008;
242 PRIM_PTR_INT__i_s_l_s += 1260;
243 PRIM_PTR_INT__i_s_m_s += 1540;
244 PRIM_PTR_INT__i_s_n_s += 1848;
245 PRIM_PTR_INT__k_s_k_s += 1296;
246 PRIM_PTR_INT__k_s_l_s += 1620;
247 PRIM_PTR_INT__k_s_m_s += 1980;
248 PRIM_PTR_INT__k_s_n_s += 2376;
249 }
250 iprimcd++;
251 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
252 {
253 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
254 {
255 shelloffsets[n] = shelloffsets[n-1] + 1;
256 lastoffset++;
257 nprim_icd += Q.nprim12[cd + (++icd)];
258 }
259 else
260 shelloffsets[n] = shelloffsets[n-1];
261 iprimcd++;
262 }
263 }
264 else
265 iprimcd += SIMINT_SIMD_LEN;
266
267 // Do we have to compute this vector (or has it been screened out)?
268 // (not_screened != 0 means we have to do this vector)
269 if(check_screen)
270 {
271 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
272 if(vmax < screen_tol)
273 {
274 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
275 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
276 PRIM_PTR_INT__g_s_m_s += lastoffset*825;
277 PRIM_PTR_INT__g_s_n_s += lastoffset*990;
278 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
279 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
280 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
281 PRIM_PTR_INT__h_s_n_s += lastoffset*1386;
282 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
283 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
284 PRIM_PTR_INT__i_s_m_s += lastoffset*1540;
285 PRIM_PTR_INT__i_s_n_s += lastoffset*1848;
286 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
287 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
288 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
289 PRIM_PTR_INT__k_s_n_s += lastoffset*2376;
290 continue;
291 }
292 }
293
294 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
295 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
296 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
297 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
298
299
300 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
301 SIMINT_DBLTYPE PQ[3];
302 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
303 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
304 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
305 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
306 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
307 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
308
309 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
310 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
311 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
312 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
313 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
314 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
315 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
316
317 // NOTE: Minus sign!
318 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
319 SIMINT_DBLTYPE aop_PQ[3];
320 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
321 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
322 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
323
324 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
325 SIMINT_DBLTYPE aoq_PQ[3];
326 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
327 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
328 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
329 // Put a minus sign here so we don't have to in RR routines
330 a_over_q = SIMINT_NEG(a_over_q);
331
332
333 //////////////////////////////////////////////
334 // Fjt function section
335 // Maximum v value: 17
336 //////////////////////////////////////////////
337 // The parameter to the Fjt function
338 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
339
340
341 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
342
343
344 boys_F_split(PRIM_INT__s_s_s_s, F_x, 17);
345 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
346 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
347 for(n = 0; n <= 17; n++)
348 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
349
350 //////////////////////////////////////////////
351 // Primitive integrals: Vertical recurrance
352 //////////////////////////////////////////////
353
354 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
355 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
356 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
357 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
358 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
359 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
360 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
361 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
362 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
363 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
364 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
365 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
366 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
367 const SIMINT_DBLTYPE vrr_const_8_over_2q = SIMINT_MUL(const_8, one_over_2q);
368 const SIMINT_DBLTYPE vrr_const_9_over_2q = SIMINT_MUL(const_9, one_over_2q);
369 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
370 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
371 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
372 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
373 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
374 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
375 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
376 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
377 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
378 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
379
380
381
382 // Forming PRIM_INT__s_s_p_s[17 * 3];
383 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
384 {
385
386 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
387 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]);
388
389 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
390 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]);
391
392 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
393 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]);
394
395 }
396
397
398
399 // Forming PRIM_INT__s_s_d_s[16 * 6];
400 for(n = 0; n < 16; ++n) // loop over orders of auxiliary function
401 {
402
403 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
404 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]);
405 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]);
406
407 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
408 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]);
409
410 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
411 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]);
412
413 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
414 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]);
415 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]);
416
417 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
418 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]);
419
420 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
421 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]);
422 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]);
423
424 }
425
426
427
428 // Forming PRIM_INT__s_s_f_s[15 * 10];
429 for(n = 0; n < 15; ++n) // loop over orders of auxiliary function
430 {
431
432 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
433 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]);
434 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]);
435
436 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
437 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]);
438
439 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
440 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]);
441
442 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
443 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]);
444
445 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
446 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]);
447
448 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
449 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]);
450
451 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
452 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]);
453 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]);
454
455 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
456 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]);
457
458 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
459 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]);
460
461 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
462 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]);
463 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]);
464
465 }
466
467
468 VRR_K_s_s_g_s(
469 PRIM_INT__s_s_g_s,
470 PRIM_INT__s_s_f_s,
471 PRIM_INT__s_s_d_s,
472 Q_PA,
473 a_over_q,
474 aoq_PQ,
475 one_over_2q,
476 14);
477
478
479 VRR_K_s_s_h_s(
480 PRIM_INT__s_s_h_s,
481 PRIM_INT__s_s_g_s,
482 PRIM_INT__s_s_f_s,
483 Q_PA,
484 a_over_q,
485 aoq_PQ,
486 one_over_2q,
487 13);
488
489
490 ostei_general_vrr1_K(6, 12,
491 one_over_2q, a_over_q, aoq_PQ, Q_PA,
492 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
493
494
495 ostei_general_vrr1_K(7, 11,
496 one_over_2q, a_over_q, aoq_PQ, Q_PA,
497 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
498
499
500 ostei_general_vrr_I(1, 0, 7, 0, 7,
501 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
502 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
503
504
505 ostei_general_vrr_I(1, 0, 6, 0, 7,
506 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
507 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
508
509
510 ostei_general_vrr_I(2, 0, 7, 0, 6,
511 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
512 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);
513
514
515 ostei_general_vrr_I(1, 0, 5, 0, 7,
516 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
517 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
518
519
520 ostei_general_vrr_I(2, 0, 6, 0, 6,
521 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
522 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);
523
524
525 ostei_general_vrr_I(3, 0, 7, 0, 5,
526 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
527 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);
528
529
530 VRR_I_p_s_g_s(
531 PRIM_INT__p_s_g_s,
532 PRIM_INT__s_s_g_s,
533 PRIM_INT__s_s_f_s,
534 P_PA,
535 aop_PQ,
536 one_over_2pq,
537 7);
538
539
540 ostei_general_vrr_I(2, 0, 5, 0, 6,
541 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
542 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);
543
544
545 ostei_general_vrr_I(3, 0, 6, 0, 5,
546 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
547 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);
548
549
550 ostei_general_vrr_I(4, 0, 7, 0, 4,
551 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
552 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);
553
554
555 ostei_general_vrr1_K(8, 10,
556 one_over_2q, a_over_q, aoq_PQ, Q_PA,
557 PRIM_INT__s_s_k_s, PRIM_INT__s_s_i_s, PRIM_INT__s_s_l_s);
558
559
560 ostei_general_vrr_I(1, 0, 8, 0, 7,
561 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
562 PRIM_INT__s_s_l_s, NULL, NULL, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_l_s);
563
564
565 ostei_general_vrr_I(2, 0, 8, 0, 6,
566 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
567 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);
568
569
570 ostei_general_vrr_I(3, 0, 8, 0, 5,
571 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
572 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);
573
574
575 ostei_general_vrr_I(4, 0, 8, 0, 4,
576 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
577 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);
578
579
580 VRR_I_p_s_f_s(
581 PRIM_INT__p_s_f_s,
582 PRIM_INT__s_s_f_s,
583 PRIM_INT__s_s_d_s,
584 P_PA,
585 aop_PQ,
586 one_over_2pq,
587 7);
588
589
590 ostei_general_vrr_I(2, 0, 4, 0, 6,
591 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
592 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);
593
594
595 ostei_general_vrr_I(3, 0, 5, 0, 5,
596 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
597 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);
598
599
600 ostei_general_vrr_I(4, 0, 6, 0, 4,
601 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
602 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);
603
604
605 ostei_general_vrr_I(5, 0, 7, 0, 3,
606 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
607 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);
608
609
610 ostei_general_vrr1_K(9, 9,
611 one_over_2q, a_over_q, aoq_PQ, Q_PA,
612 PRIM_INT__s_s_l_s, PRIM_INT__s_s_k_s, PRIM_INT__s_s_m_s);
613
614
615 ostei_general_vrr_I(1, 0, 9, 0, 7,
616 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
617 PRIM_INT__s_s_m_s, NULL, NULL, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_m_s);
618
619
620 ostei_general_vrr_I(2, 0, 9, 0, 6,
621 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
622 PRIM_INT__p_s_m_s, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_m_s);
623
624
625 ostei_general_vrr_I(3, 0, 9, 0, 5,
626 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
627 PRIM_INT__d_s_m_s, PRIM_INT__p_s_m_s, NULL, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_m_s);
628
629
630 ostei_general_vrr_I(4, 0, 9, 0, 4,
631 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
632 PRIM_INT__f_s_m_s, PRIM_INT__d_s_m_s, NULL, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_m_s);
633
634
635 ostei_general_vrr_I(5, 0, 8, 0, 3,
636 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
637 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);
638
639
640
641 // Forming PRIM_INT__p_s_d_s[7 * 18];
642 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
643 {
644
645 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
646 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]);
647 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]);
648
649 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
650 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]);
651 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]);
652
653 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
654 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]);
655 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]);
656
657 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
658 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]);
659
660 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
661 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]);
662
663 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
664 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]);
665
666 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
667 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]);
668
669 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
670 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]);
671 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]);
672
673 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
674 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]);
675
676 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
677 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]);
678 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]);
679
680 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
681 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]);
682 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]);
683
684 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
685 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]);
686
687 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
688 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]);
689
690 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
691 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]);
692
693 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
694 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]);
695 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]);
696
697 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
698 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]);
699
700 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
701 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]);
702 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]);
703
704 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
705 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]);
706 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]);
707
708 }
709
710
711 VRR_I_d_s_f_s(
712 PRIM_INT__d_s_f_s,
713 PRIM_INT__p_s_f_s,
714 PRIM_INT__s_s_f_s,
715 PRIM_INT__p_s_d_s,
716 P_PA,
717 a_over_p,
718 aop_PQ,
719 one_over_2p,
720 one_over_2pq,
721 6);
722
723
724 ostei_general_vrr_I(3, 0, 4, 0, 5,
725 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
726 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);
727
728
729 ostei_general_vrr_I(4, 0, 5, 0, 4,
730 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
731 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);
732
733
734 ostei_general_vrr_I(5, 0, 6, 0, 3,
735 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
736 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);
737
738
739 ostei_general_vrr_I(6, 0, 7, 0, 2,
740 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
741 PRIM_INT__h_s_k_s, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_k_s);
742
743
744 ostei_general_vrr1_K(10, 8,
745 one_over_2q, a_over_q, aoq_PQ, Q_PA,
746 PRIM_INT__s_s_m_s, PRIM_INT__s_s_l_s, PRIM_INT__s_s_n_s);
747
748
749 ostei_general_vrr_I(1, 0, 10, 0, 7,
750 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
751 PRIM_INT__s_s_n_s, NULL, NULL, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_n_s);
752
753
754 ostei_general_vrr_I(2, 0, 10, 0, 6,
755 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
756 PRIM_INT__p_s_n_s, PRIM_INT__s_s_n_s, NULL, PRIM_INT__p_s_m_s, NULL, PRIM_INT__d_s_n_s);
757
758
759 ostei_general_vrr_I(3, 0, 10, 0, 5,
760 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
761 PRIM_INT__d_s_n_s, PRIM_INT__p_s_n_s, NULL, PRIM_INT__d_s_m_s, NULL, PRIM_INT__f_s_n_s);
762
763
764 ostei_general_vrr_I(4, 0, 10, 0, 4,
765 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
766 PRIM_INT__f_s_n_s, PRIM_INT__d_s_n_s, NULL, PRIM_INT__f_s_m_s, NULL, PRIM_INT__g_s_n_s);
767
768
769 ostei_general_vrr_I(5, 0, 9, 0, 3,
770 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
771 PRIM_INT__g_s_m_s, PRIM_INT__f_s_m_s, NULL, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_m_s);
772
773
774 ostei_general_vrr_I(6, 0, 8, 0, 2,
775 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
776 PRIM_INT__h_s_l_s, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_l_s);
777
778
779
780 // Forming PRIM_INT__p_s_p_s[7 * 9];
781 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
782 {
783
784 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
785 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]);
786 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]);
787
788 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
789 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]);
790
791 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
792 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]);
793
794 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
795 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]);
796
797 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
798 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]);
799 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]);
800
801 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
802 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]);
803
804 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
805 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]);
806
807 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
808 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]);
809
810 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
811 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]);
812 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]);
813
814 }
815
816
817 VRR_I_d_s_d_s(
818 PRIM_INT__d_s_d_s,
819 PRIM_INT__p_s_d_s,
820 PRIM_INT__s_s_d_s,
821 PRIM_INT__p_s_p_s,
822 P_PA,
823 a_over_p,
824 aop_PQ,
825 one_over_2p,
826 one_over_2pq,
827 6);
828
829
830 ostei_general_vrr_I(3, 0, 3, 0, 5,
831 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
832 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);
833
834
835 ostei_general_vrr_I(4, 0, 4, 0, 4,
836 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
837 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);
838
839
840 ostei_general_vrr_I(5, 0, 5, 0, 3,
841 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
842 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);
843
844
845 ostei_general_vrr_I(6, 0, 6, 0, 2,
846 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
847 PRIM_INT__h_s_i_s, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_i_s);
848
849
850 ostei_general_vrr_I(7, 0, 7, 0, 1,
851 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
852 PRIM_INT__i_s_k_s, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_k_s);
853
854
855 ostei_general_vrr_I(5, 0, 10, 0, 3,
856 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
857 PRIM_INT__g_s_n_s, PRIM_INT__f_s_n_s, NULL, PRIM_INT__g_s_m_s, NULL, PRIM_INT__h_s_n_s);
858
859
860 ostei_general_vrr_I(6, 0, 9, 0, 2,
861 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
862 PRIM_INT__h_s_m_s, PRIM_INT__g_s_m_s, NULL, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_m_s);
863
864
865 ostei_general_vrr_I(7, 0, 8, 0, 1,
866 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
867 PRIM_INT__i_s_l_s, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_l_s);
868
869
870 ostei_general_vrr_I(6, 0, 10, 0, 2,
871 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
872 PRIM_INT__h_s_n_s, PRIM_INT__g_s_n_s, NULL, PRIM_INT__h_s_m_s, NULL, PRIM_INT__i_s_n_s);
873
874
875 ostei_general_vrr_I(7, 0, 9, 0, 1,
876 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
877 PRIM_INT__i_s_m_s, PRIM_INT__h_s_m_s, NULL, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_m_s);
878
879
880 ostei_general_vrr_I(7, 0, 10, 0, 1,
881 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
882 PRIM_INT__i_s_n_s, PRIM_INT__h_s_n_s, NULL, PRIM_INT__i_s_m_s, NULL, PRIM_INT__k_s_n_s);
883
884
885
886
887 ////////////////////////////////////
888 // Accumulate contracted integrals
889 ////////////////////////////////////
890 if(lastoffset == 0)
891 {
892 contract_all(540, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
893 contract_all(675, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
894 contract_all(825, PRIM_INT__g_s_m_s, PRIM_PTR_INT__g_s_m_s);
895 contract_all(990, PRIM_INT__g_s_n_s, PRIM_PTR_INT__g_s_n_s);
896 contract_all(756, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
897 contract_all(945, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
898 contract_all(1155, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
899 contract_all(1386, PRIM_INT__h_s_n_s, PRIM_PTR_INT__h_s_n_s);
900 contract_all(1008, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
901 contract_all(1260, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
902 contract_all(1540, PRIM_INT__i_s_m_s, PRIM_PTR_INT__i_s_m_s);
903 contract_all(1848, PRIM_INT__i_s_n_s, PRIM_PTR_INT__i_s_n_s);
904 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
905 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
906 contract_all(1980, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
907 contract_all(2376, PRIM_INT__k_s_n_s, PRIM_PTR_INT__k_s_n_s);
908 }
909 else
910 {
911 contract(540, shelloffsets, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
912 contract(675, shelloffsets, PRIM_INT__g_s_l_s, PRIM_PTR_INT__g_s_l_s);
913 contract(825, shelloffsets, PRIM_INT__g_s_m_s, PRIM_PTR_INT__g_s_m_s);
914 contract(990, shelloffsets, PRIM_INT__g_s_n_s, PRIM_PTR_INT__g_s_n_s);
915 contract(756, shelloffsets, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
916 contract(945, shelloffsets, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
917 contract(1155, shelloffsets, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
918 contract(1386, shelloffsets, PRIM_INT__h_s_n_s, PRIM_PTR_INT__h_s_n_s);
919 contract(1008, shelloffsets, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
920 contract(1260, shelloffsets, PRIM_INT__i_s_l_s, PRIM_PTR_INT__i_s_l_s);
921 contract(1540, shelloffsets, PRIM_INT__i_s_m_s, PRIM_PTR_INT__i_s_m_s);
922 contract(1848, shelloffsets, PRIM_INT__i_s_n_s, PRIM_PTR_INT__i_s_n_s);
923 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
924 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
925 contract(1980, shelloffsets, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
926 contract(2376, shelloffsets, PRIM_INT__k_s_n_s, PRIM_PTR_INT__k_s_n_s);
927 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
928 PRIM_PTR_INT__g_s_l_s += lastoffset*675;
929 PRIM_PTR_INT__g_s_m_s += lastoffset*825;
930 PRIM_PTR_INT__g_s_n_s += lastoffset*990;
931 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
932 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
933 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
934 PRIM_PTR_INT__h_s_n_s += lastoffset*1386;
935 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
936 PRIM_PTR_INT__i_s_l_s += lastoffset*1260;
937 PRIM_PTR_INT__i_s_m_s += lastoffset*1540;
938 PRIM_PTR_INT__i_s_n_s += lastoffset*1848;
939 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
940 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
941 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
942 PRIM_PTR_INT__k_s_n_s += lastoffset*2376;
943 }
944
945 } // close loop over j
946 } // close loop over i
947
948 //Advance to the next batch
949 jstart = SIMINT_SIMD_ROUND(jend);
950
951 //////////////////////////////////////////////
952 // Contracted integrals: Horizontal recurrance
953 //////////////////////////////////////////////
954
955
956 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
957
958
959 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
960 {
961 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
962
963 // set up HRR pointers
964 double const * restrict HRR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
965 double const * restrict HRR_INT__g_s_l_s = INT__g_s_l_s + abcd * 675;
966 double const * restrict HRR_INT__g_s_m_s = INT__g_s_m_s + abcd * 825;
967 double const * restrict HRR_INT__g_s_n_s = INT__g_s_n_s + abcd * 990;
968 double const * restrict HRR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
969 double const * restrict HRR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
970 double const * restrict HRR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
971 double const * restrict HRR_INT__h_s_n_s = INT__h_s_n_s + abcd * 1386;
972 double const * restrict HRR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
973 double const * restrict HRR_INT__i_s_l_s = INT__i_s_l_s + abcd * 1260;
974 double const * restrict HRR_INT__i_s_m_s = INT__i_s_m_s + abcd * 1540;
975 double const * restrict HRR_INT__i_s_n_s = INT__i_s_n_s + abcd * 1848;
976 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
977 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
978 double const * restrict HRR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
979 double const * restrict HRR_INT__k_s_n_s = INT__k_s_n_s + abcd * 2376;
980 double * restrict HRR_INT__g_f_k_f = INT__g_f_k_f + real_abcd * 54000;
981
982 // form INT__g_p_k_s
983 HRR_J_g_p(
984 HRR_INT__g_p_k_s,
985 HRR_INT__g_s_k_s,
986 HRR_INT__h_s_k_s,
987 hAB, 36);
988
989 // form INT__g_p_l_s
990 HRR_J_g_p(
991 HRR_INT__g_p_l_s,
992 HRR_INT__g_s_l_s,
993 HRR_INT__h_s_l_s,
994 hAB, 45);
995
996 // form INT__g_p_m_s
997 HRR_J_g_p(
998 HRR_INT__g_p_m_s,
999 HRR_INT__g_s_m_s,
1000 HRR_INT__h_s_m_s,
1001 hAB, 55);
1002
1003 // form INT__g_p_n_s
1004 HRR_J_g_p(
1005 HRR_INT__g_p_n_s,
1006 HRR_INT__g_s_n_s,
1007 HRR_INT__h_s_n_s,
1008 hAB, 66);
1009
1010 // form INT__h_p_k_s
1011 ostei_general_hrr_J(5, 1, 7, 0, hAB, HRR_INT__i_s_k_s, HRR_INT__h_s_k_s, HRR_INT__h_p_k_s);
1012
1013 // form INT__h_p_l_s
1014 ostei_general_hrr_J(5, 1, 8, 0, hAB, HRR_INT__i_s_l_s, HRR_INT__h_s_l_s, HRR_INT__h_p_l_s);
1015
1016 // form INT__h_p_m_s
1017 ostei_general_hrr_J(5, 1, 9, 0, hAB, HRR_INT__i_s_m_s, HRR_INT__h_s_m_s, HRR_INT__h_p_m_s);
1018
1019 // form INT__h_p_n_s
1020 ostei_general_hrr_J(5, 1, 10, 0, hAB, HRR_INT__i_s_n_s, HRR_INT__h_s_n_s, HRR_INT__h_p_n_s);
1021
1022 // form INT__i_p_k_s
1023 ostei_general_hrr_J(6, 1, 7, 0, hAB, HRR_INT__k_s_k_s, HRR_INT__i_s_k_s, HRR_INT__i_p_k_s);
1024
1025 // form INT__i_p_l_s
1026 ostei_general_hrr_J(6, 1, 8, 0, hAB, HRR_INT__k_s_l_s, HRR_INT__i_s_l_s, HRR_INT__i_p_l_s);
1027
1028 // form INT__i_p_m_s
1029 ostei_general_hrr_J(6, 1, 9, 0, hAB, HRR_INT__k_s_m_s, HRR_INT__i_s_m_s, HRR_INT__i_p_m_s);
1030
1031 // form INT__i_p_n_s
1032 ostei_general_hrr_J(6, 1, 10, 0, hAB, HRR_INT__k_s_n_s, HRR_INT__i_s_n_s, HRR_INT__i_p_n_s);
1033
1034 // form INT__g_d_k_s
1035 ostei_general_hrr_J(4, 2, 7, 0, hAB, HRR_INT__h_p_k_s, HRR_INT__g_p_k_s, HRR_INT__g_d_k_s);
1036
1037 // form INT__g_d_l_s
1038 ostei_general_hrr_J(4, 2, 8, 0, hAB, HRR_INT__h_p_l_s, HRR_INT__g_p_l_s, HRR_INT__g_d_l_s);
1039
1040 // form INT__g_d_m_s
1041 ostei_general_hrr_J(4, 2, 9, 0, hAB, HRR_INT__h_p_m_s, HRR_INT__g_p_m_s, HRR_INT__g_d_m_s);
1042
1043 // form INT__g_d_n_s
1044 ostei_general_hrr_J(4, 2, 10, 0, hAB, HRR_INT__h_p_n_s, HRR_INT__g_p_n_s, HRR_INT__g_d_n_s);
1045
1046 // form INT__h_d_k_s
1047 ostei_general_hrr_J(5, 2, 7, 0, hAB, HRR_INT__i_p_k_s, HRR_INT__h_p_k_s, HRR_INT__h_d_k_s);
1048
1049 // form INT__h_d_l_s
1050 ostei_general_hrr_J(5, 2, 8, 0, hAB, HRR_INT__i_p_l_s, HRR_INT__h_p_l_s, HRR_INT__h_d_l_s);
1051
1052 // form INT__h_d_m_s
1053 ostei_general_hrr_J(5, 2, 9, 0, hAB, HRR_INT__i_p_m_s, HRR_INT__h_p_m_s, HRR_INT__h_d_m_s);
1054
1055 // form INT__h_d_n_s
1056 ostei_general_hrr_J(5, 2, 10, 0, hAB, HRR_INT__i_p_n_s, HRR_INT__h_p_n_s, HRR_INT__h_d_n_s);
1057
1058 // form INT__g_f_k_s
1059 ostei_general_hrr_J(4, 3, 7, 0, hAB, HRR_INT__h_d_k_s, HRR_INT__g_d_k_s, HRR_INT__g_f_k_s);
1060
1061 // form INT__g_f_l_s
1062 ostei_general_hrr_J(4, 3, 8, 0, hAB, HRR_INT__h_d_l_s, HRR_INT__g_d_l_s, HRR_INT__g_f_l_s);
1063
1064 // form INT__g_f_m_s
1065 ostei_general_hrr_J(4, 3, 9, 0, hAB, HRR_INT__h_d_m_s, HRR_INT__g_d_m_s, HRR_INT__g_f_m_s);
1066
1067 // form INT__g_f_n_s
1068 ostei_general_hrr_J(4, 3, 10, 0, hAB, HRR_INT__h_d_n_s, HRR_INT__g_d_n_s, HRR_INT__g_f_n_s);
1069
1070 // form INT__g_f_k_p
1071 ostei_general_hrr_L(4, 3, 7, 1, hCD, HRR_INT__g_f_l_s, HRR_INT__g_f_k_s, HRR_INT__g_f_k_p);
1072
1073 // form INT__g_f_l_p
1074 ostei_general_hrr_L(4, 3, 8, 1, hCD, HRR_INT__g_f_m_s, HRR_INT__g_f_l_s, HRR_INT__g_f_l_p);
1075
1076 // form INT__g_f_m_p
1077 ostei_general_hrr_L(4, 3, 9, 1, hCD, HRR_INT__g_f_n_s, HRR_INT__g_f_m_s, HRR_INT__g_f_m_p);
1078
1079 // form INT__g_f_k_d
1080 ostei_general_hrr_L(4, 3, 7, 2, hCD, HRR_INT__g_f_l_p, HRR_INT__g_f_k_p, HRR_INT__g_f_k_d);
1081
1082 // form INT__g_f_l_d
1083 ostei_general_hrr_L(4, 3, 8, 2, hCD, HRR_INT__g_f_m_p, HRR_INT__g_f_l_p, HRR_INT__g_f_l_d);
1084
1085 // form INT__g_f_k_f
1086 ostei_general_hrr_L(4, 3, 7, 3, hCD, HRR_INT__g_f_l_d, HRR_INT__g_f_k_d, HRR_INT__g_f_k_f);
1087
1088
1089 } // close HRR loop
1090
1091
1092 } // close loop cdbatch
1093
1094 istart = iend;
1095 } // close loop over ab
1096
1097 return P.nshell12_clip * Q.nshell12_clip;
1098 }
1099
ostei_f_g_k_f(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_g_k_f)1100 int ostei_f_g_k_f(struct simint_multi_shellpair const P,
1101 struct simint_multi_shellpair const Q,
1102 double screen_tol,
1103 double * const restrict work,
1104 double * const restrict INT__f_g_k_f)
1105 {
1106 double P_AB[3*P.nshell12];
1107 struct simint_multi_shellpair P_tmp = P;
1108 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1109 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1110 P_tmp.AB_x = P_AB;
1111 P_tmp.AB_y = P_AB + P.nshell12;
1112 P_tmp.AB_z = P_AB + 2*P.nshell12;
1113
1114 for(int i = 0; i < P.nshell12; i++)
1115 {
1116 P_tmp.AB_x[i] = -P.AB_x[i];
1117 P_tmp.AB_y[i] = -P.AB_y[i];
1118 P_tmp.AB_z[i] = -P.AB_z[i];
1119 }
1120
1121 int ret = ostei_g_f_k_f(P_tmp, Q, screen_tol, work, INT__f_g_k_f);
1122 double buffer[54000] SIMINT_ALIGN_ARRAY_DBL;
1123
1124 for(int q = 0; q < ret; q++)
1125 {
1126 int idx = 0;
1127 for(int a = 0; a < 10; ++a)
1128 for(int b = 0; b < 15; ++b)
1129 for(int c = 0; c < 36; ++c)
1130 for(int d = 0; d < 10; ++d)
1131 buffer[idx++] = INT__f_g_k_f[q*54000+b*3600+a*360+c*10+d];
1132
1133 memcpy(INT__f_g_k_f+q*54000, buffer, 54000*sizeof(double));
1134 }
1135
1136 return ret;
1137 }
1138
ostei_g_f_f_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_f_f_k)1139 int ostei_g_f_f_k(struct simint_multi_shellpair const P,
1140 struct simint_multi_shellpair const Q,
1141 double screen_tol,
1142 double * const restrict work,
1143 double * const restrict INT__g_f_f_k)
1144 {
1145 double Q_AB[3*Q.nshell12];
1146 struct simint_multi_shellpair Q_tmp = Q;
1147 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1148 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1149 Q_tmp.AB_x = Q_AB;
1150 Q_tmp.AB_y = Q_AB + Q.nshell12;
1151 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1152
1153 for(int i = 0; i < Q.nshell12; i++)
1154 {
1155 Q_tmp.AB_x[i] = -Q.AB_x[i];
1156 Q_tmp.AB_y[i] = -Q.AB_y[i];
1157 Q_tmp.AB_z[i] = -Q.AB_z[i];
1158 }
1159
1160 int ret = ostei_g_f_k_f(P, Q_tmp, screen_tol, work, INT__g_f_f_k);
1161 double buffer[54000] SIMINT_ALIGN_ARRAY_DBL;
1162
1163 for(int q = 0; q < ret; q++)
1164 {
1165 int idx = 0;
1166 for(int a = 0; a < 15; ++a)
1167 for(int b = 0; b < 10; ++b)
1168 for(int c = 0; c < 10; ++c)
1169 for(int d = 0; d < 36; ++d)
1170 buffer[idx++] = INT__g_f_f_k[q*54000+a*3600+b*360+d*10+c];
1171
1172 memcpy(INT__g_f_f_k+q*54000, buffer, 54000*sizeof(double));
1173 }
1174
1175 return ret;
1176 }
1177
ostei_f_g_f_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_g_f_k)1178 int ostei_f_g_f_k(struct simint_multi_shellpair const P,
1179 struct simint_multi_shellpair const Q,
1180 double screen_tol,
1181 double * const restrict work,
1182 double * const restrict INT__f_g_f_k)
1183 {
1184 double P_AB[3*P.nshell12];
1185 struct simint_multi_shellpair P_tmp = P;
1186 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1187 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1188 P_tmp.AB_x = P_AB;
1189 P_tmp.AB_y = P_AB + P.nshell12;
1190 P_tmp.AB_z = P_AB + 2*P.nshell12;
1191
1192 for(int i = 0; i < P.nshell12; i++)
1193 {
1194 P_tmp.AB_x[i] = -P.AB_x[i];
1195 P_tmp.AB_y[i] = -P.AB_y[i];
1196 P_tmp.AB_z[i] = -P.AB_z[i];
1197 }
1198
1199 double Q_AB[3*Q.nshell12];
1200 struct simint_multi_shellpair Q_tmp = Q;
1201 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1202 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1203 Q_tmp.AB_x = Q_AB;
1204 Q_tmp.AB_y = Q_AB + Q.nshell12;
1205 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1206
1207 for(int i = 0; i < Q.nshell12; i++)
1208 {
1209 Q_tmp.AB_x[i] = -Q.AB_x[i];
1210 Q_tmp.AB_y[i] = -Q.AB_y[i];
1211 Q_tmp.AB_z[i] = -Q.AB_z[i];
1212 }
1213
1214 int ret = ostei_g_f_k_f(P_tmp, Q_tmp, screen_tol, work, INT__f_g_f_k);
1215 double buffer[54000] SIMINT_ALIGN_ARRAY_DBL;
1216
1217 for(int q = 0; q < ret; q++)
1218 {
1219 int idx = 0;
1220 for(int a = 0; a < 10; ++a)
1221 for(int b = 0; b < 15; ++b)
1222 for(int c = 0; c < 10; ++c)
1223 for(int d = 0; d < 36; ++d)
1224 buffer[idx++] = INT__f_g_f_k[q*54000+b*3600+a*360+d*10+c];
1225
1226 memcpy(INT__f_g_f_k+q*54000, buffer, 54000*sizeof(double));
1227 }
1228
1229 return ret;
1230 }
1231
1232