1 #include "simint/boys/boys.h"
2 #include "simint/ostei/gen/ostei_generated.h"
3 #include "simint/vectorization/vectorization.h"
4 #include <math.h>
5 #include <string.h>
6
7
ostei_f_d_f_d(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_d_f_d)8 int ostei_f_d_f_d(struct simint_multi_shellpair const P,
9 struct simint_multi_shellpair const Q,
10 double screen_tol,
11 double * const restrict work,
12 double * const restrict INT__f_d_f_d)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__f_d_f_d);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26 int ibra;
27
28 // partition workspace
29 double * const INT__f_s_f_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__f_s_g_s = work + (SIMINT_NSHELL_SIMD * 100);
31 double * const INT__f_s_h_s = work + (SIMINT_NSHELL_SIMD * 250);
32 double * const INT__g_s_f_s = work + (SIMINT_NSHELL_SIMD * 460);
33 double * const INT__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 610);
34 double * const INT__g_s_h_s = work + (SIMINT_NSHELL_SIMD * 835);
35 double * const INT__h_s_f_s = work + (SIMINT_NSHELL_SIMD * 1150);
36 double * const INT__h_s_g_s = work + (SIMINT_NSHELL_SIMD * 1360);
37 double * const INT__h_s_h_s = work + (SIMINT_NSHELL_SIMD * 1675);
38 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*2116);
39 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 11;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 26;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 50;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 80;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 125;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 197;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 287;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 341;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 431;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 575;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 755;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 935;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 1015;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 1165;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 1405;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 1705;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 2005;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 2215;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 2320;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 2545;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 2905;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 3355;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 3805;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 4120;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 4246;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 4561;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 5065;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 5695;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 6325;
69 double * const hrrwork = (double *)(primwork + 6766);
70 double * const HRR_INT__f_p_f_s = hrrwork + 0;
71 double * const HRR_INT__f_p_g_s = hrrwork + 300;
72 double * const HRR_INT__f_p_h_s = hrrwork + 750;
73 double * const HRR_INT__f_d_f_s = hrrwork + 1380;
74 double * const HRR_INT__f_d_f_p = hrrwork + 1980;
75 double * const HRR_INT__f_d_g_s = hrrwork + 3780;
76 double * const HRR_INT__f_d_g_p = hrrwork + 4680;
77 double * const HRR_INT__f_d_h_s = hrrwork + 7380;
78 double * const HRR_INT__g_p_f_s = hrrwork + 8640;
79 double * const HRR_INT__g_p_g_s = hrrwork + 9090;
80 double * const HRR_INT__g_p_h_s = hrrwork + 9765;
81
82
83 // Create constants
84 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
85 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
86 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
87 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
88 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
89 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
90
91
92 ////////////////////////////////////////
93 // Loop over shells and primitives
94 ////////////////////////////////////////
95
96 real_abcd = 0;
97 istart = 0;
98 for(ab = 0; ab < P.nshell12_clip; ++ab)
99 {
100 const int iend = istart + P.nprim12[ab];
101
102 cd = 0;
103 jstart = 0;
104
105 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
106 {
107 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
108 int jend = jstart;
109 for(i = 0; i < nshellbatch; i++)
110 jend += Q.nprim12[cd+i];
111
112 // Clear the beginning of the workspace (where we are accumulating integrals)
113 memset(work, 0, SIMINT_NSHELL_SIMD * 2116 * sizeof(double));
114 abcd = 0;
115
116
117 for(i = istart; i < iend; ++i)
118 {
119 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
120
121 if(check_screen)
122 {
123 // Skip this whole thing if always insignificant
124 if((P.screen[i] * Q.screen_max) < screen_tol)
125 continue;
126 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
127 }
128
129 icd = 0;
130 iprimcd = 0;
131 nprim_icd = Q.nprim12[cd];
132 double * restrict PRIM_PTR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
133 double * restrict PRIM_PTR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
134 double * restrict PRIM_PTR_INT__f_s_h_s = INT__f_s_h_s + abcd * 210;
135 double * restrict PRIM_PTR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
136 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
137 double * restrict PRIM_PTR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
138 double * restrict PRIM_PTR_INT__h_s_f_s = INT__h_s_f_s + abcd * 210;
139 double * restrict PRIM_PTR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
140 double * restrict PRIM_PTR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
141
142
143
144 // Load these one per loop over i
145 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
146 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
147 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
148
149 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
150
151 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
152 {
153 // calculate the shell offsets
154 // these are the offset from the shell pointed to by cd
155 // for each element
156 int shelloffsets[SIMINT_SIMD_LEN] = {0};
157 int lastoffset = 0;
158 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
159
160 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
161 {
162 // Handle if the first element of the vector is a new shell
163 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
164 {
165 nprim_icd += Q.nprim12[cd + (++icd)];
166 PRIM_PTR_INT__f_s_f_s += 100;
167 PRIM_PTR_INT__f_s_g_s += 150;
168 PRIM_PTR_INT__f_s_h_s += 210;
169 PRIM_PTR_INT__g_s_f_s += 150;
170 PRIM_PTR_INT__g_s_g_s += 225;
171 PRIM_PTR_INT__g_s_h_s += 315;
172 PRIM_PTR_INT__h_s_f_s += 210;
173 PRIM_PTR_INT__h_s_g_s += 315;
174 PRIM_PTR_INT__h_s_h_s += 441;
175 }
176 iprimcd++;
177 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
178 {
179 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
180 {
181 shelloffsets[n] = shelloffsets[n-1] + 1;
182 lastoffset++;
183 nprim_icd += Q.nprim12[cd + (++icd)];
184 }
185 else
186 shelloffsets[n] = shelloffsets[n-1];
187 iprimcd++;
188 }
189 }
190 else
191 iprimcd += SIMINT_SIMD_LEN;
192
193 // Do we have to compute this vector (or has it been screened out)?
194 // (not_screened != 0 means we have to do this vector)
195 if(check_screen)
196 {
197 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
198 if(vmax < screen_tol)
199 {
200 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
201 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
202 PRIM_PTR_INT__f_s_h_s += lastoffset*210;
203 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
204 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
205 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
206 PRIM_PTR_INT__h_s_f_s += lastoffset*210;
207 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
208 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
209 continue;
210 }
211 }
212
213 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
214 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
215 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
216 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
217
218
219 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
220 SIMINT_DBLTYPE PQ[3];
221 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
222 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
223 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
224 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
225 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
226 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
227
228 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
229 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
230 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
231 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
232 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
233 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
234 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
235
236 // NOTE: Minus sign!
237 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
238 SIMINT_DBLTYPE aop_PQ[3];
239 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
240 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
241 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
242
243 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
244 SIMINT_DBLTYPE aoq_PQ[3];
245 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
246 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
247 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
248 // Put a minus sign here so we don't have to in RR routines
249 a_over_q = SIMINT_NEG(a_over_q);
250
251
252 //////////////////////////////////////////////
253 // Fjt function section
254 // Maximum v value: 10
255 //////////////////////////////////////////////
256 // The parameter to the Fjt function
257 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
258
259
260 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
261
262
263 boys_F_split(PRIM_INT__s_s_s_s, F_x, 10);
264 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
265 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
266 for(n = 0; n <= 10; n++)
267 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
268
269 //////////////////////////////////////////////
270 // Primitive integrals: Vertical recurrance
271 //////////////////////////////////////////////
272
273 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
274 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
275 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
276 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
277 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
278 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
279 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
280 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
281 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
282 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
283 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
284 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
285 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
286
287
288
289 // Forming PRIM_INT__p_s_s_s[10 * 3];
290 for(n = 0; n < 10; ++n) // loop over orders of auxiliary function
291 {
292
293 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
294 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]);
295
296 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
297 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]);
298
299 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
300 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]);
301
302 }
303
304
305
306 // Forming PRIM_INT__d_s_s_s[9 * 6];
307 for(n = 0; n < 9; ++n) // loop over orders of auxiliary function
308 {
309
310 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
311 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 0]);
312 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 0]);
313
314 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
315 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 1]);
316
317 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
318 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_s_s[n * 6 + 2]);
319
320 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
321 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_s_s[n * 6 + 3]);
322 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 3]);
323
324 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
325 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_s_s[n * 6 + 4]);
326
327 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
328 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_s_s[n * 6 + 5]);
329 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_s_s[(n+1) * 1 + 0], PRIM_INT__s_s_s_s[n * 1 + 0]), PRIM_INT__d_s_s_s[n * 6 + 5]);
330
331 }
332
333
334
335 // Forming PRIM_INT__f_s_s_s[8 * 10];
336 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
337 {
338
339 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
340 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 0]);
341 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__f_s_s_s[n * 10 + 0]);
342
343 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
344 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 1]);
345
346 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
347 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__f_s_s_s[n * 10 + 2]);
348
349 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
350 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 3]);
351
352 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
353 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__f_s_s_s[n * 10 + 4]);
354
355 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
356 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 5]);
357
358 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
359 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 6]);
360 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__f_s_s_s[n * 10 + 6]);
361
362 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
363 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__f_s_s_s[n * 10 + 7]);
364
365 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
366 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 8]);
367
368 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
369 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__f_s_s_s[n * 10 + 9]);
370 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_FMADD( vrr_const_2_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__f_s_s_s[n * 10 + 9]);
371
372 }
373
374
375 VRR_K_f_s_p_s(
376 PRIM_INT__f_s_p_s,
377 PRIM_INT__f_s_s_s,
378 PRIM_INT__d_s_s_s,
379 Q_PA,
380 aoq_PQ,
381 one_over_2pq,
382 5);
383
384
385
386 // Forming PRIM_INT__d_s_p_s[5 * 18];
387 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
388 {
389
390 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
391 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
392 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
393
394 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
395 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 1]);
396
397 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
398 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 0], PRIM_INT__d_s_p_s[n * 18 + 2]);
399
400 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
401 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 3]);
402 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 3]);
403
404 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
405 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 4]);
406 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 4]);
407
408 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
409 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 1], PRIM_INT__d_s_p_s[n * 18 + 5]);
410
411 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
412 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 6]);
413 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 6]);
414
415 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
416 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 7]);
417
418 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
419 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 2], PRIM_INT__d_s_p_s[n * 18 + 8]);
420 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 8]);
421
422 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
423 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 9]);
424
425 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
426 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 10]);
427 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 10]);
428
429 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
430 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 3], PRIM_INT__d_s_p_s[n * 18 + 11]);
431
432 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
433 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 12]);
434
435 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
436 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 13]);
437 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 13]);
438
439 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
440 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 4], PRIM_INT__d_s_p_s[n * 18 + 14]);
441 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 14]);
442
443 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
444 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 15]);
445
446 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
447 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 16]);
448
449 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
450 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__d_s_s_s[(n+1) * 6 + 5], PRIM_INT__d_s_p_s[n * 18 + 17]);
451 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 17]);
452
453 }
454
455
456 VRR_K_f_s_d_s(
457 PRIM_INT__f_s_d_s,
458 PRIM_INT__f_s_p_s,
459 PRIM_INT__f_s_s_s,
460 PRIM_INT__d_s_p_s,
461 Q_PA,
462 a_over_q,
463 aoq_PQ,
464 one_over_2pq,
465 one_over_2q,
466 4);
467
468
469
470 // Forming PRIM_INT__p_s_p_s[5 * 9];
471 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
472 {
473
474 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
475 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
476 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]);
477
478 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
479 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 1]);
480
481 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
482 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 2]);
483
484 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
485 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 3]);
486
487 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
488 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
489 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]);
490
491 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
492 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 5]);
493
494 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
495 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 6]);
496
497 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
498 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 7]);
499
500 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
501 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
502 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]);
503
504 }
505
506
507 VRR_K_d_s_d_s(
508 PRIM_INT__d_s_d_s,
509 PRIM_INT__d_s_p_s,
510 PRIM_INT__d_s_s_s,
511 PRIM_INT__p_s_p_s,
512 Q_PA,
513 a_over_q,
514 aoq_PQ,
515 one_over_2pq,
516 one_over_2q,
517 4);
518
519
520 ostei_general_vrr_K(3, 0, 3, 0, 3,
521 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
522 PRIM_INT__f_s_d_s, PRIM_INT__f_s_p_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
523
524
525
526 // Forming PRIM_INT__s_s_p_s[5 * 3];
527 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
528 {
529
530 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
531 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]);
532
533 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
534 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]);
535
536 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
537 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]);
538
539 }
540
541
542
543 // Forming PRIM_INT__p_s_d_s[4 * 18];
544 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
545 {
546
547 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
548 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
549 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 0]);
550 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
551
552 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
553 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__p_s_d_s[n * 18 + 3]);
554 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 3]);
555
556 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
557 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__p_s_d_s[n * 18 + 5]);
558 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 5]);
559
560 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
561 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__p_s_d_s[n * 18 + 6]);
562 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 6]);
563
564 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
565 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__p_s_d_s[n * 18 + 9]);
566 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 9]);
567 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 9]);
568
569 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
570 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
571 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 11]);
572
573 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
574 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__p_s_d_s[n * 18 + 12]);
575 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 12]);
576
577 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
578 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__p_s_d_s[n * 18 + 15]);
579 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 15]);
580
581 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
582 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__p_s_d_s[n * 18 + 17]);
583 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 17]);
584 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 17]);
585
586 }
587
588
589 VRR_K_d_s_f_s(
590 PRIM_INT__d_s_f_s,
591 PRIM_INT__d_s_d_s,
592 PRIM_INT__d_s_p_s,
593 PRIM_INT__p_s_d_s,
594 Q_PA,
595 a_over_q,
596 aoq_PQ,
597 one_over_2pq,
598 one_over_2q,
599 3);
600
601
602 ostei_general_vrr_K(3, 0, 4, 0, 2,
603 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
604 PRIM_INT__f_s_f_s, PRIM_INT__f_s_d_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
605
606
607 VRR_I_g_s_s_s(
608 PRIM_INT__g_s_s_s,
609 PRIM_INT__f_s_s_s,
610 PRIM_INT__d_s_s_s,
611 P_PA,
612 a_over_p,
613 aop_PQ,
614 one_over_2p,
615 7);
616
617
618 VRR_K_g_s_p_s(
619 PRIM_INT__g_s_p_s,
620 PRIM_INT__g_s_s_s,
621 PRIM_INT__f_s_s_s,
622 Q_PA,
623 aoq_PQ,
624 one_over_2pq,
625 5);
626
627
628 ostei_general_vrr_K(4, 0, 2, 0, 4,
629 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
630 PRIM_INT__g_s_p_s, PRIM_INT__g_s_s_s, NULL, PRIM_INT__f_s_p_s, NULL, PRIM_INT__g_s_d_s);
631
632
633 ostei_general_vrr_K(4, 0, 3, 0, 3,
634 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
635 PRIM_INT__g_s_d_s, PRIM_INT__g_s_p_s, NULL, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_f_s);
636
637
638
639 // Forming PRIM_INT__s_s_d_s[4 * 6];
640 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
641 {
642
643 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
644 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]);
645 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]);
646
647 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
648 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]);
649 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]);
650
651 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
652 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]);
653 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]);
654
655 }
656
657
658 VRR_K_p_s_f_s(
659 PRIM_INT__p_s_f_s,
660 PRIM_INT__p_s_d_s,
661 PRIM_INT__p_s_p_s,
662 PRIM_INT__s_s_d_s,
663 Q_PA,
664 a_over_q,
665 aoq_PQ,
666 one_over_2pq,
667 one_over_2q,
668 3);
669
670
671 ostei_general_vrr_K(2, 0, 4, 0, 2,
672 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
673 PRIM_INT__d_s_f_s, PRIM_INT__d_s_d_s, NULL, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_g_s);
674
675
676 ostei_general_vrr_K(3, 0, 5, 0, 1,
677 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
678 PRIM_INT__f_s_g_s, PRIM_INT__f_s_f_s, NULL, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_h_s);
679
680
681 ostei_general_vrr_K(4, 0, 4, 0, 2,
682 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
683 PRIM_INT__g_s_f_s, PRIM_INT__g_s_d_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
684
685
686 VRR_I_h_s_s_s(
687 PRIM_INT__h_s_s_s,
688 PRIM_INT__g_s_s_s,
689 PRIM_INT__f_s_s_s,
690 P_PA,
691 a_over_p,
692 aop_PQ,
693 one_over_2p,
694 6);
695
696
697 ostei_general_vrr_K(5, 0, 1, 0, 5,
698 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
699 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
700
701
702 ostei_general_vrr_K(5, 0, 2, 0, 4,
703 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
704 PRIM_INT__h_s_p_s, PRIM_INT__h_s_s_s, NULL, PRIM_INT__g_s_p_s, NULL, PRIM_INT__h_s_d_s);
705
706
707 ostei_general_vrr_K(5, 0, 3, 0, 3,
708 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
709 PRIM_INT__h_s_d_s, PRIM_INT__h_s_p_s, NULL, PRIM_INT__g_s_d_s, NULL, PRIM_INT__h_s_f_s);
710
711
712 ostei_general_vrr_K(4, 0, 5, 0, 1,
713 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
714 PRIM_INT__g_s_g_s, PRIM_INT__g_s_f_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
715
716
717 ostei_general_vrr_K(5, 0, 4, 0, 2,
718 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
719 PRIM_INT__h_s_f_s, PRIM_INT__h_s_d_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
720
721
722 ostei_general_vrr_K(5, 0, 5, 0, 1,
723 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
724 PRIM_INT__h_s_g_s, PRIM_INT__h_s_f_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
725
726
727
728
729 ////////////////////////////////////
730 // Accumulate contracted integrals
731 ////////////////////////////////////
732 if(lastoffset == 0)
733 {
734 contract_all(100, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
735 contract_all(150, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
736 contract_all(210, PRIM_INT__f_s_h_s, PRIM_PTR_INT__f_s_h_s);
737 contract_all(150, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
738 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
739 contract_all(315, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
740 contract_all(210, PRIM_INT__h_s_f_s, PRIM_PTR_INT__h_s_f_s);
741 contract_all(315, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
742 contract_all(441, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
743 }
744 else
745 {
746 contract(100, shelloffsets, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
747 contract(150, shelloffsets, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
748 contract(210, shelloffsets, PRIM_INT__f_s_h_s, PRIM_PTR_INT__f_s_h_s);
749 contract(150, shelloffsets, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
750 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
751 contract(315, shelloffsets, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
752 contract(210, shelloffsets, PRIM_INT__h_s_f_s, PRIM_PTR_INT__h_s_f_s);
753 contract(315, shelloffsets, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
754 contract(441, shelloffsets, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
755 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
756 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
757 PRIM_PTR_INT__f_s_h_s += lastoffset*210;
758 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
759 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
760 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
761 PRIM_PTR_INT__h_s_f_s += lastoffset*210;
762 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
763 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
764 }
765
766 } // close loop over j
767 } // close loop over i
768
769 //Advance to the next batch
770 jstart = SIMINT_SIMD_ROUND(jend);
771
772 //////////////////////////////////////////////
773 // Contracted integrals: Horizontal recurrance
774 //////////////////////////////////////////////
775
776
777 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
778
779
780 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
781 {
782 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
783
784 // set up HRR pointers
785 double const * restrict HRR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
786 double const * restrict HRR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
787 double const * restrict HRR_INT__f_s_h_s = INT__f_s_h_s + abcd * 210;
788 double const * restrict HRR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
789 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
790 double const * restrict HRR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
791 double const * restrict HRR_INT__h_s_f_s = INT__h_s_f_s + abcd * 210;
792 double const * restrict HRR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
793 double const * restrict HRR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
794 double * restrict HRR_INT__f_d_f_d = INT__f_d_f_d + real_abcd * 3600;
795
796 // form INT__f_p_f_s
797 HRR_J_f_p(
798 HRR_INT__f_p_f_s,
799 HRR_INT__f_s_f_s,
800 HRR_INT__g_s_f_s,
801 hAB, 10);
802
803 // form INT__f_p_g_s
804 HRR_J_f_p(
805 HRR_INT__f_p_g_s,
806 HRR_INT__f_s_g_s,
807 HRR_INT__g_s_g_s,
808 hAB, 15);
809
810 // form INT__f_p_h_s
811 HRR_J_f_p(
812 HRR_INT__f_p_h_s,
813 HRR_INT__f_s_h_s,
814 HRR_INT__g_s_h_s,
815 hAB, 21);
816
817 // form INT__g_p_f_s
818 HRR_J_g_p(
819 HRR_INT__g_p_f_s,
820 HRR_INT__g_s_f_s,
821 HRR_INT__h_s_f_s,
822 hAB, 10);
823
824 // form INT__g_p_g_s
825 HRR_J_g_p(
826 HRR_INT__g_p_g_s,
827 HRR_INT__g_s_g_s,
828 HRR_INT__h_s_g_s,
829 hAB, 15);
830
831 // form INT__g_p_h_s
832 HRR_J_g_p(
833 HRR_INT__g_p_h_s,
834 HRR_INT__g_s_h_s,
835 HRR_INT__h_s_h_s,
836 hAB, 21);
837
838 // form INT__f_d_f_s
839 HRR_J_f_d(
840 HRR_INT__f_d_f_s,
841 HRR_INT__f_p_f_s,
842 HRR_INT__g_p_f_s,
843 hAB, 10);
844
845 // form INT__f_d_g_s
846 HRR_J_f_d(
847 HRR_INT__f_d_g_s,
848 HRR_INT__f_p_g_s,
849 HRR_INT__g_p_g_s,
850 hAB, 15);
851
852 // form INT__f_d_h_s
853 HRR_J_f_d(
854 HRR_INT__f_d_h_s,
855 HRR_INT__f_p_h_s,
856 HRR_INT__g_p_h_s,
857 hAB, 21);
858
859 // form INT__f_d_f_p
860 HRR_L_f_p(
861 HRR_INT__f_d_f_p,
862 HRR_INT__f_d_f_s,
863 HRR_INT__f_d_g_s,
864 hCD, 60);
865
866 // form INT__f_d_g_p
867 HRR_L_g_p(
868 HRR_INT__f_d_g_p,
869 HRR_INT__f_d_g_s,
870 HRR_INT__f_d_h_s,
871 hCD, 60);
872
873 // form INT__f_d_f_d
874 HRR_L_f_d(
875 HRR_INT__f_d_f_d,
876 HRR_INT__f_d_f_p,
877 HRR_INT__f_d_g_p,
878 hCD, 60);
879
880
881 } // close HRR loop
882
883
884 } // close loop cdbatch
885
886 istart = iend;
887 } // close loop over ab
888
889 return P.nshell12_clip * Q.nshell12_clip;
890 }
891
892