1 #include "simint/boys/boys.h"
2 #include "simint/ostei/gen/ostei_generated.h"
3 #include "simint/vectorization/vectorization.h"
4 #include <math.h>
5 #include <string.h>
6
7
ostei_d_d_d_p(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__d_d_d_p)8 int ostei_d_d_d_p(struct simint_multi_shellpair const P,
9 struct simint_multi_shellpair const Q,
10 double screen_tol,
11 double * const restrict work,
12 double * const restrict INT__d_d_d_p)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__d_d_d_p);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26 int ibra;
27
28 // partition workspace
29 double * const INT__d_s_d_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__d_s_f_s = work + (SIMINT_NSHELL_SIMD * 36);
31 double * const INT__f_s_d_s = work + (SIMINT_NSHELL_SIMD * 96);
32 double * const INT__f_s_f_s = work + (SIMINT_NSHELL_SIMD * 156);
33 double * const INT__g_s_d_s = work + (SIMINT_NSHELL_SIMD * 256);
34 double * const INT__g_s_f_s = work + (SIMINT_NSHELL_SIMD * 346);
35 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*496);
36 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
37 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 8;
38 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 17;
39 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 38;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 65;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 101;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 137;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 191;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 263;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 323;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 373;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 463;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 583;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 683;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 743;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 878;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 1058;
53 double * const hrrwork = (double *)(primwork + 1208);
54 double * const HRR_INT__d_p_d_s = hrrwork + 0;
55 double * const HRR_INT__d_p_f_s = hrrwork + 108;
56 double * const HRR_INT__d_d_d_s = hrrwork + 288;
57 double * const HRR_INT__d_d_f_s = hrrwork + 504;
58 double * const HRR_INT__f_p_d_s = hrrwork + 864;
59 double * const HRR_INT__f_p_f_s = hrrwork + 1044;
60
61
62 // Create constants
63 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
64 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
65 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
66 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
67 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
68
69
70 ////////////////////////////////////////
71 // Loop over shells and primitives
72 ////////////////////////////////////////
73
74 real_abcd = 0;
75 istart = 0;
76 for(ab = 0; ab < P.nshell12_clip; ++ab)
77 {
78 const int iend = istart + P.nprim12[ab];
79
80 cd = 0;
81 jstart = 0;
82
83 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
84 {
85 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
86 int jend = jstart;
87 for(i = 0; i < nshellbatch; i++)
88 jend += Q.nprim12[cd+i];
89
90 // Clear the beginning of the workspace (where we are accumulating integrals)
91 memset(work, 0, SIMINT_NSHELL_SIMD * 496 * sizeof(double));
92 abcd = 0;
93
94
95 for(i = istart; i < iend; ++i)
96 {
97 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
98
99 if(check_screen)
100 {
101 // Skip this whole thing if always insignificant
102 if((P.screen[i] * Q.screen_max) < screen_tol)
103 continue;
104 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
105 }
106
107 icd = 0;
108 iprimcd = 0;
109 nprim_icd = Q.nprim12[cd];
110 double * restrict PRIM_PTR_INT__d_s_d_s = INT__d_s_d_s + abcd * 36;
111 double * restrict PRIM_PTR_INT__d_s_f_s = INT__d_s_f_s + abcd * 60;
112 double * restrict PRIM_PTR_INT__f_s_d_s = INT__f_s_d_s + abcd * 60;
113 double * restrict PRIM_PTR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
114 double * restrict PRIM_PTR_INT__g_s_d_s = INT__g_s_d_s + abcd * 90;
115 double * restrict PRIM_PTR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
116
117
118
119 // Load these one per loop over i
120 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
121 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
122 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
123
124 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
125
126 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
127 {
128 // calculate the shell offsets
129 // these are the offset from the shell pointed to by cd
130 // for each element
131 int shelloffsets[SIMINT_SIMD_LEN] = {0};
132 int lastoffset = 0;
133 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
134
135 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
136 {
137 // Handle if the first element of the vector is a new shell
138 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
139 {
140 nprim_icd += Q.nprim12[cd + (++icd)];
141 PRIM_PTR_INT__d_s_d_s += 36;
142 PRIM_PTR_INT__d_s_f_s += 60;
143 PRIM_PTR_INT__f_s_d_s += 60;
144 PRIM_PTR_INT__f_s_f_s += 100;
145 PRIM_PTR_INT__g_s_d_s += 90;
146 PRIM_PTR_INT__g_s_f_s += 150;
147 }
148 iprimcd++;
149 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
150 {
151 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
152 {
153 shelloffsets[n] = shelloffsets[n-1] + 1;
154 lastoffset++;
155 nprim_icd += Q.nprim12[cd + (++icd)];
156 }
157 else
158 shelloffsets[n] = shelloffsets[n-1];
159 iprimcd++;
160 }
161 }
162 else
163 iprimcd += SIMINT_SIMD_LEN;
164
165 // Do we have to compute this vector (or has it been screened out)?
166 // (not_screened != 0 means we have to do this vector)
167 if(check_screen)
168 {
169 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
170 if(vmax < screen_tol)
171 {
172 PRIM_PTR_INT__d_s_d_s += lastoffset*36;
173 PRIM_PTR_INT__d_s_f_s += lastoffset*60;
174 PRIM_PTR_INT__f_s_d_s += lastoffset*60;
175 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
176 PRIM_PTR_INT__g_s_d_s += lastoffset*90;
177 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
178 continue;
179 }
180 }
181
182 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
183 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
184 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
185 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
186
187
188 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
189 SIMINT_DBLTYPE PQ[3];
190 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
191 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
192 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
193 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
194 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
195 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
196
197 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
198 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
199 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
200 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
201 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
202 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
203 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
204
205 // NOTE: Minus sign!
206 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
207 SIMINT_DBLTYPE aop_PQ[3];
208 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
209 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
210 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
211
212 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
213 SIMINT_DBLTYPE aoq_PQ[3];
214 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
215 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
216 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
217 // Put a minus sign here so we don't have to in RR routines
218 a_over_q = SIMINT_NEG(a_over_q);
219
220
221 //////////////////////////////////////////////
222 // Fjt function section
223 // Maximum v value: 7
224 //////////////////////////////////////////////
225 // The parameter to the Fjt function
226 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
227
228
229 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
230
231
232 boys_F_split(PRIM_INT__s_s_s_s, F_x, 7);
233 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
234 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
235 for(n = 0; n <= 7; n++)
236 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
237
238 //////////////////////////////////////////////
239 // Primitive integrals: Vertical recurrance
240 //////////////////////////////////////////////
241
242 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
243 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
244 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
245 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
246 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
247 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
248 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
249 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
250 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
251
252
253
254 // Forming PRIM_INT__p_s_s_s[7 * 3];
255 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
256 {
257
258 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
259 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]);
260
261 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
262 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]);
263
264 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
265 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]);
266
267 }
268
269
270
271 // Forming PRIM_INT__d_s_s_s[6 * 6];
272 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
273 {
274
275 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
276 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]);
277 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]);
278
279 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
280 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]);
281
282 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
283 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]);
284
285 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
286 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]);
287 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]);
288
289 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
290 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]);
291
292 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
293 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]);
294 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]);
295
296 }
297
298
299
300 // Forming PRIM_INT__d_s_p_s[3 * 18];
301 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
302 {
303
304 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
305 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]);
306 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]);
307
308 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
309 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]);
310
311 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
312 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]);
313
314 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
315 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]);
316 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]);
317
318 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
319 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]);
320 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]);
321
322 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
323 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]);
324
325 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
326 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]);
327 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]);
328
329 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
330 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]);
331
332 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
333 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]);
334 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]);
335
336 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
337 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]);
338
339 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
340 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]);
341 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]);
342
343 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
344 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]);
345
346 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
347 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]);
348
349 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
350 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]);
351 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]);
352
353 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
354 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]);
355 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]);
356
357 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
358 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]);
359
360 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
361 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]);
362
363 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
364 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]);
365 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]);
366
367 }
368
369
370
371 // Forming PRIM_INT__p_s_p_s[3 * 9];
372 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
373 {
374
375 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
376 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]);
377 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]);
378
379 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
380 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]);
381
382 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
383 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]);
384
385 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
386 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]);
387
388 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
389 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]);
390 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]);
391
392 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
393 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]);
394
395 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
396 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]);
397
398 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
399 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]);
400
401 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
402 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]);
403 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]);
404
405 }
406
407
408 VRR_K_d_s_d_s(
409 PRIM_INT__d_s_d_s,
410 PRIM_INT__d_s_p_s,
411 PRIM_INT__d_s_s_s,
412 PRIM_INT__p_s_p_s,
413 Q_PA,
414 a_over_q,
415 aoq_PQ,
416 one_over_2pq,
417 one_over_2q,
418 2);
419
420
421
422 // Forming PRIM_INT__s_s_p_s[3 * 3];
423 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
424 {
425
426 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
427 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]);
428
429 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
430 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]);
431
432 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
433 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]);
434
435 }
436
437
438
439 // Forming PRIM_INT__p_s_d_s[2 * 18];
440 for(n = 0; n < 2; ++n) // loop over orders of auxiliary function
441 {
442
443 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
444 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]);
445 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]);
446 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]);
447
448 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 0]);
449 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__p_s_d_s[n * 18 + 1]);
450
451 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
452 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]);
453 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]);
454
455 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
456 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]);
457 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]);
458
459 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
460 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]);
461 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]);
462
463 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
464 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__p_s_d_s[n * 18 + 7]);
465 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]);
466
467 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
468 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]);
469 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]);
470 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]);
471
472 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
473 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]);
474 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]);
475
476 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
477 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]);
478 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]);
479
480 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 6]);
481 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__p_s_d_s[n * 18 + 13]);
482
483 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
484 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]);
485 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]);
486
487 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
488 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]);
489 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]);
490 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]);
491
492 }
493
494
495 VRR_K_d_s_f_s(
496 PRIM_INT__d_s_f_s,
497 PRIM_INT__d_s_d_s,
498 PRIM_INT__d_s_p_s,
499 PRIM_INT__p_s_d_s,
500 Q_PA,
501 a_over_q,
502 aoq_PQ,
503 one_over_2pq,
504 one_over_2q,
505 1);
506
507
508
509 // Forming PRIM_INT__f_s_s_s[5 * 10];
510 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
511 {
512
513 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
514 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]);
515 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]);
516
517 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
518 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]);
519
520 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
521 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]);
522
523 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
524 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]);
525
526 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
527 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]);
528
529 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
530 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]);
531
532 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
533 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]);
534 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]);
535
536 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
537 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]);
538
539 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
540 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]);
541
542 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
543 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]);
544 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]);
545
546 }
547
548
549 VRR_K_f_s_p_s(
550 PRIM_INT__f_s_p_s,
551 PRIM_INT__f_s_s_s,
552 PRIM_INT__d_s_s_s,
553 Q_PA,
554 aoq_PQ,
555 one_over_2pq,
556 3);
557
558
559 VRR_K_f_s_d_s(
560 PRIM_INT__f_s_d_s,
561 PRIM_INT__f_s_p_s,
562 PRIM_INT__f_s_s_s,
563 PRIM_INT__d_s_p_s,
564 Q_PA,
565 a_over_q,
566 aoq_PQ,
567 one_over_2pq,
568 one_over_2q,
569 2);
570
571
572 ostei_general_vrr_K(3, 0, 3, 0, 1,
573 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
574 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);
575
576
577 VRR_I_g_s_s_s(
578 PRIM_INT__g_s_s_s,
579 PRIM_INT__f_s_s_s,
580 PRIM_INT__d_s_s_s,
581 P_PA,
582 a_over_p,
583 aop_PQ,
584 one_over_2p,
585 4);
586
587
588 VRR_K_g_s_p_s(
589 PRIM_INT__g_s_p_s,
590 PRIM_INT__g_s_s_s,
591 PRIM_INT__f_s_s_s,
592 Q_PA,
593 aoq_PQ,
594 one_over_2pq,
595 3);
596
597
598 ostei_general_vrr_K(4, 0, 2, 0, 2,
599 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
600 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);
601
602
603 ostei_general_vrr_K(4, 0, 3, 0, 1,
604 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
605 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);
606
607
608
609
610 ////////////////////////////////////
611 // Accumulate contracted integrals
612 ////////////////////////////////////
613 if(lastoffset == 0)
614 {
615 contract_all(36, PRIM_INT__d_s_d_s, PRIM_PTR_INT__d_s_d_s);
616 contract_all(60, PRIM_INT__d_s_f_s, PRIM_PTR_INT__d_s_f_s);
617 contract_all(60, PRIM_INT__f_s_d_s, PRIM_PTR_INT__f_s_d_s);
618 contract_all(100, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
619 contract_all(90, PRIM_INT__g_s_d_s, PRIM_PTR_INT__g_s_d_s);
620 contract_all(150, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
621 }
622 else
623 {
624 contract(36, shelloffsets, PRIM_INT__d_s_d_s, PRIM_PTR_INT__d_s_d_s);
625 contract(60, shelloffsets, PRIM_INT__d_s_f_s, PRIM_PTR_INT__d_s_f_s);
626 contract(60, shelloffsets, PRIM_INT__f_s_d_s, PRIM_PTR_INT__f_s_d_s);
627 contract(100, shelloffsets, PRIM_INT__f_s_f_s, PRIM_PTR_INT__f_s_f_s);
628 contract(90, shelloffsets, PRIM_INT__g_s_d_s, PRIM_PTR_INT__g_s_d_s);
629 contract(150, shelloffsets, PRIM_INT__g_s_f_s, PRIM_PTR_INT__g_s_f_s);
630 PRIM_PTR_INT__d_s_d_s += lastoffset*36;
631 PRIM_PTR_INT__d_s_f_s += lastoffset*60;
632 PRIM_PTR_INT__f_s_d_s += lastoffset*60;
633 PRIM_PTR_INT__f_s_f_s += lastoffset*100;
634 PRIM_PTR_INT__g_s_d_s += lastoffset*90;
635 PRIM_PTR_INT__g_s_f_s += lastoffset*150;
636 }
637
638 } // close loop over j
639 } // close loop over i
640
641 //Advance to the next batch
642 jstart = SIMINT_SIMD_ROUND(jend);
643
644 //////////////////////////////////////////////
645 // Contracted integrals: Horizontal recurrance
646 //////////////////////////////////////////////
647
648
649 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
650
651
652 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
653 {
654 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
655
656 // set up HRR pointers
657 double const * restrict HRR_INT__d_s_d_s = INT__d_s_d_s + abcd * 36;
658 double const * restrict HRR_INT__d_s_f_s = INT__d_s_f_s + abcd * 60;
659 double const * restrict HRR_INT__f_s_d_s = INT__f_s_d_s + abcd * 60;
660 double const * restrict HRR_INT__f_s_f_s = INT__f_s_f_s + abcd * 100;
661 double const * restrict HRR_INT__g_s_d_s = INT__g_s_d_s + abcd * 90;
662 double const * restrict HRR_INT__g_s_f_s = INT__g_s_f_s + abcd * 150;
663 double * restrict HRR_INT__d_d_d_p = INT__d_d_d_p + real_abcd * 648;
664
665 // form INT__d_p_d_s
666 for(iket = 0; iket < 6; ++iket)
667 {
668 HRR_INT__d_p_d_s[0 * 6 + iket] = HRR_INT__f_s_d_s[0 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[0 * 6 + iket] );
669
670 HRR_INT__d_p_d_s[1 * 6 + iket] = HRR_INT__f_s_d_s[1 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[0 * 6 + iket] );
671
672 HRR_INT__d_p_d_s[2 * 6 + iket] = HRR_INT__f_s_d_s[2 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[0 * 6 + iket] );
673
674 HRR_INT__d_p_d_s[3 * 6 + iket] = HRR_INT__f_s_d_s[1 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[1 * 6 + iket] );
675
676 HRR_INT__d_p_d_s[4 * 6 + iket] = HRR_INT__f_s_d_s[3 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[1 * 6 + iket] );
677
678 HRR_INT__d_p_d_s[5 * 6 + iket] = HRR_INT__f_s_d_s[4 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[1 * 6 + iket] );
679
680 HRR_INT__d_p_d_s[6 * 6 + iket] = HRR_INT__f_s_d_s[2 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[2 * 6 + iket] );
681
682 HRR_INT__d_p_d_s[7 * 6 + iket] = HRR_INT__f_s_d_s[4 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[2 * 6 + iket] );
683
684 HRR_INT__d_p_d_s[8 * 6 + iket] = HRR_INT__f_s_d_s[5 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[2 * 6 + iket] );
685
686 HRR_INT__d_p_d_s[9 * 6 + iket] = HRR_INT__f_s_d_s[3 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[3 * 6 + iket] );
687
688 HRR_INT__d_p_d_s[10 * 6 + iket] = HRR_INT__f_s_d_s[6 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[3 * 6 + iket] );
689
690 HRR_INT__d_p_d_s[11 * 6 + iket] = HRR_INT__f_s_d_s[7 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[3 * 6 + iket] );
691
692 HRR_INT__d_p_d_s[12 * 6 + iket] = HRR_INT__f_s_d_s[4 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[4 * 6 + iket] );
693
694 HRR_INT__d_p_d_s[13 * 6 + iket] = HRR_INT__f_s_d_s[7 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[4 * 6 + iket] );
695
696 HRR_INT__d_p_d_s[14 * 6 + iket] = HRR_INT__f_s_d_s[8 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[4 * 6 + iket] );
697
698 HRR_INT__d_p_d_s[15 * 6 + iket] = HRR_INT__f_s_d_s[5 * 6 + iket] + ( hAB[0] * HRR_INT__d_s_d_s[5 * 6 + iket] );
699
700 HRR_INT__d_p_d_s[16 * 6 + iket] = HRR_INT__f_s_d_s[8 * 6 + iket] + ( hAB[1] * HRR_INT__d_s_d_s[5 * 6 + iket] );
701
702 HRR_INT__d_p_d_s[17 * 6 + iket] = HRR_INT__f_s_d_s[9 * 6 + iket] + ( hAB[2] * HRR_INT__d_s_d_s[5 * 6 + iket] );
703
704 }
705
706
707 // form INT__d_p_f_s
708 for(iket = 0; iket < 10; ++iket)
709 {
710 HRR_INT__d_p_f_s[0 * 10 + iket] = HRR_INT__f_s_f_s[0 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[0 * 10 + iket] );
711
712 HRR_INT__d_p_f_s[1 * 10 + iket] = HRR_INT__f_s_f_s[1 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[0 * 10 + iket] );
713
714 HRR_INT__d_p_f_s[2 * 10 + iket] = HRR_INT__f_s_f_s[2 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[0 * 10 + iket] );
715
716 HRR_INT__d_p_f_s[3 * 10 + iket] = HRR_INT__f_s_f_s[1 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[1 * 10 + iket] );
717
718 HRR_INT__d_p_f_s[4 * 10 + iket] = HRR_INT__f_s_f_s[3 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[1 * 10 + iket] );
719
720 HRR_INT__d_p_f_s[5 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[1 * 10 + iket] );
721
722 HRR_INT__d_p_f_s[6 * 10 + iket] = HRR_INT__f_s_f_s[2 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[2 * 10 + iket] );
723
724 HRR_INT__d_p_f_s[7 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[2 * 10 + iket] );
725
726 HRR_INT__d_p_f_s[8 * 10 + iket] = HRR_INT__f_s_f_s[5 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[2 * 10 + iket] );
727
728 HRR_INT__d_p_f_s[9 * 10 + iket] = HRR_INT__f_s_f_s[3 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[3 * 10 + iket] );
729
730 HRR_INT__d_p_f_s[10 * 10 + iket] = HRR_INT__f_s_f_s[6 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[3 * 10 + iket] );
731
732 HRR_INT__d_p_f_s[11 * 10 + iket] = HRR_INT__f_s_f_s[7 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[3 * 10 + iket] );
733
734 HRR_INT__d_p_f_s[12 * 10 + iket] = HRR_INT__f_s_f_s[4 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[4 * 10 + iket] );
735
736 HRR_INT__d_p_f_s[13 * 10 + iket] = HRR_INT__f_s_f_s[7 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[4 * 10 + iket] );
737
738 HRR_INT__d_p_f_s[14 * 10 + iket] = HRR_INT__f_s_f_s[8 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[4 * 10 + iket] );
739
740 HRR_INT__d_p_f_s[15 * 10 + iket] = HRR_INT__f_s_f_s[5 * 10 + iket] + ( hAB[0] * HRR_INT__d_s_f_s[5 * 10 + iket] );
741
742 HRR_INT__d_p_f_s[16 * 10 + iket] = HRR_INT__f_s_f_s[8 * 10 + iket] + ( hAB[1] * HRR_INT__d_s_f_s[5 * 10 + iket] );
743
744 HRR_INT__d_p_f_s[17 * 10 + iket] = HRR_INT__f_s_f_s[9 * 10 + iket] + ( hAB[2] * HRR_INT__d_s_f_s[5 * 10 + iket] );
745
746 }
747
748
749 // form INT__f_p_d_s
750 HRR_J_f_p(
751 HRR_INT__f_p_d_s,
752 HRR_INT__f_s_d_s,
753 HRR_INT__g_s_d_s,
754 hAB, 6);
755
756 // form INT__f_p_f_s
757 HRR_J_f_p(
758 HRR_INT__f_p_f_s,
759 HRR_INT__f_s_f_s,
760 HRR_INT__g_s_f_s,
761 hAB, 10);
762
763 // form INT__d_d_d_s
764 HRR_J_d_d(
765 HRR_INT__d_d_d_s,
766 HRR_INT__d_p_d_s,
767 HRR_INT__f_p_d_s,
768 hAB, 6);
769
770 // form INT__d_d_f_s
771 HRR_J_d_d(
772 HRR_INT__d_d_f_s,
773 HRR_INT__d_p_f_s,
774 HRR_INT__f_p_f_s,
775 hAB, 10);
776
777 // form INT__d_d_d_p
778 for(ibra = 0; ibra < 36; ++ibra)
779 {
780 HRR_INT__d_d_d_p[ibra * 18 + 0] = HRR_INT__d_d_f_s[ibra * 10 + 0] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 0] );
781
782 HRR_INT__d_d_d_p[ibra * 18 + 1] = HRR_INT__d_d_f_s[ibra * 10 + 1] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 0] );
783
784 HRR_INT__d_d_d_p[ibra * 18 + 2] = HRR_INT__d_d_f_s[ibra * 10 + 2] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 0] );
785
786 HRR_INT__d_d_d_p[ibra * 18 + 3] = HRR_INT__d_d_f_s[ibra * 10 + 1] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 1] );
787
788 HRR_INT__d_d_d_p[ibra * 18 + 4] = HRR_INT__d_d_f_s[ibra * 10 + 3] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 1] );
789
790 HRR_INT__d_d_d_p[ibra * 18 + 5] = HRR_INT__d_d_f_s[ibra * 10 + 4] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 1] );
791
792 HRR_INT__d_d_d_p[ibra * 18 + 6] = HRR_INT__d_d_f_s[ibra * 10 + 2] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 2] );
793
794 HRR_INT__d_d_d_p[ibra * 18 + 7] = HRR_INT__d_d_f_s[ibra * 10 + 4] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 2] );
795
796 HRR_INT__d_d_d_p[ibra * 18 + 8] = HRR_INT__d_d_f_s[ibra * 10 + 5] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 2] );
797
798 HRR_INT__d_d_d_p[ibra * 18 + 9] = HRR_INT__d_d_f_s[ibra * 10 + 3] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 3] );
799
800 HRR_INT__d_d_d_p[ibra * 18 + 10] = HRR_INT__d_d_f_s[ibra * 10 + 6] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 3] );
801
802 HRR_INT__d_d_d_p[ibra * 18 + 11] = HRR_INT__d_d_f_s[ibra * 10 + 7] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 3] );
803
804 HRR_INT__d_d_d_p[ibra * 18 + 12] = HRR_INT__d_d_f_s[ibra * 10 + 4] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 4] );
805
806 HRR_INT__d_d_d_p[ibra * 18 + 13] = HRR_INT__d_d_f_s[ibra * 10 + 7] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 4] );
807
808 HRR_INT__d_d_d_p[ibra * 18 + 14] = HRR_INT__d_d_f_s[ibra * 10 + 8] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 4] );
809
810 HRR_INT__d_d_d_p[ibra * 18 + 15] = HRR_INT__d_d_f_s[ibra * 10 + 5] + ( hCD[0] * HRR_INT__d_d_d_s[ibra * 6 + 5] );
811
812 HRR_INT__d_d_d_p[ibra * 18 + 16] = HRR_INT__d_d_f_s[ibra * 10 + 8] + ( hCD[1] * HRR_INT__d_d_d_s[ibra * 6 + 5] );
813
814 HRR_INT__d_d_d_p[ibra * 18 + 17] = HRR_INT__d_d_f_s[ibra * 10 + 9] + ( hCD[2] * HRR_INT__d_d_d_s[ibra * 6 + 5] );
815
816 }
817
818
819 } // close HRR loop
820
821
822 } // close loop cdbatch
823
824 istart = iend;
825 } // close loop over ab
826
827 return P.nshell12_clip * Q.nshell12_clip;
828 }
829
830