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_h_s_k_i(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__h_s_k_i)8 int ostei_h_s_k_i(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__h_s_k_i)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__h_s_k_i);
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 ibra;
26
27 // partition workspace
28 double * const INT__h_s_k_s = work + (SIMINT_NSHELL_SIMD * 0);
29 double * const INT__h_s_l_s = work + (SIMINT_NSHELL_SIMD * 756);
30 double * const INT__h_s_m_s = work + (SIMINT_NSHELL_SIMD * 1701);
31 double * const INT__h_s_n_s = work + (SIMINT_NSHELL_SIMD * 2856);
32 double * const INT__h_s_o_s = work + (SIMINT_NSHELL_SIMD * 4242);
33 double * const INT__h_s_q_s = work + (SIMINT_NSHELL_SIMD * 5880);
34 double * const INT__h_s_r_s = work + (SIMINT_NSHELL_SIMD * 7791);
35 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*9996);
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 + 19;
38 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 73;
39 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 175;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 335;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 560;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 854;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 1218;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_l_s = primwork + 1650;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_m_s = primwork + 2145;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_n_s = primwork + 2695;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_o_s = primwork + 3289;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_q_s = primwork + 3913;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_r_s = primwork + 4550;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 5180;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 5330;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 5555;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 5870;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 6290;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_l_s = primwork + 6830;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_m_s = primwork + 7505;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_n_s = primwork + 8330;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_o_s = primwork + 9320;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_q_s = primwork + 10490;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_r_s = primwork + 11855;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 13430;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 13790;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 14294;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 14966;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_l_s = primwork + 15830;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_m_s = primwork + 16910;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_n_s = primwork + 18230;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_o_s = primwork + 19814;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_q_s = primwork + 21686;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_r_s = primwork + 23870;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 26390;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 27020;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 27860;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_l_s = primwork + 28940;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_m_s = primwork + 30290;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_n_s = primwork + 31940;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_o_s = primwork + 33920;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_q_s = primwork + 36260;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_r_s = primwork + 38990;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 42140;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 42980;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_l_s = primwork + 44060;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_m_s = primwork + 45410;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_n_s = primwork + 47060;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_o_s = primwork + 49040;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_q_s = primwork + 51380;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_r_s = primwork + 54110;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 57260;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_l_s = primwork + 58016;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_m_s = primwork + 58961;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_n_s = primwork + 60116;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_o_s = primwork + 61502;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_q_s = primwork + 63140;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_r_s = primwork + 65051;
95 double * const hrrwork = (double *)(primwork + 67256);
96 double * const HRR_INT__h_s_k_p = hrrwork + 0;
97 double * const HRR_INT__h_s_k_d = hrrwork + 2268;
98 double * const HRR_INT__h_s_k_f = hrrwork + 6804;
99 double * const HRR_INT__h_s_k_g = hrrwork + 14364;
100 double * const HRR_INT__h_s_k_h = hrrwork + 25704;
101 double * const HRR_INT__h_s_l_p = hrrwork + 41580;
102 double * const HRR_INT__h_s_l_d = hrrwork + 44415;
103 double * const HRR_INT__h_s_l_f = hrrwork + 50085;
104 double * const HRR_INT__h_s_l_g = hrrwork + 59535;
105 double * const HRR_INT__h_s_l_h = hrrwork + 73710;
106 double * const HRR_INT__h_s_m_p = hrrwork + 93555;
107 double * const HRR_INT__h_s_m_d = hrrwork + 97020;
108 double * const HRR_INT__h_s_m_f = hrrwork + 103950;
109 double * const HRR_INT__h_s_m_g = hrrwork + 115500;
110 double * const HRR_INT__h_s_n_p = hrrwork + 132825;
111 double * const HRR_INT__h_s_n_d = hrrwork + 136983;
112 double * const HRR_INT__h_s_n_f = hrrwork + 145299;
113 double * const HRR_INT__h_s_o_p = hrrwork + 159159;
114 double * const HRR_INT__h_s_o_d = hrrwork + 164073;
115 double * const HRR_INT__h_s_q_p = hrrwork + 173901;
116
117
118 // Create constants
119 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
120 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
121 const SIMINT_DBLTYPE const_11 = SIMINT_DBLSET1(11);
122 const SIMINT_DBLTYPE const_12 = SIMINT_DBLSET1(12);
123 const SIMINT_DBLTYPE const_13 = SIMINT_DBLSET1(13);
124 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
125 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
126 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
127 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
128 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
129 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
130 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
131 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
132 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
133
134
135 ////////////////////////////////////////
136 // Loop over shells and primitives
137 ////////////////////////////////////////
138
139 real_abcd = 0;
140 istart = 0;
141 for(ab = 0; ab < P.nshell12_clip; ++ab)
142 {
143 const int iend = istart + P.nprim12[ab];
144
145 cd = 0;
146 jstart = 0;
147
148 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
149 {
150 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
151 int jend = jstart;
152 for(i = 0; i < nshellbatch; i++)
153 jend += Q.nprim12[cd+i];
154
155 // Clear the beginning of the workspace (where we are accumulating integrals)
156 memset(work, 0, SIMINT_NSHELL_SIMD * 9996 * sizeof(double));
157 abcd = 0;
158
159
160 for(i = istart; i < iend; ++i)
161 {
162 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
163
164 if(check_screen)
165 {
166 // Skip this whole thing if always insignificant
167 if((P.screen[i] * Q.screen_max) < screen_tol)
168 continue;
169 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
170 }
171
172 icd = 0;
173 iprimcd = 0;
174 nprim_icd = Q.nprim12[cd];
175 double * restrict PRIM_PTR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
176 double * restrict PRIM_PTR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
177 double * restrict PRIM_PTR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
178 double * restrict PRIM_PTR_INT__h_s_n_s = INT__h_s_n_s + abcd * 1386;
179 double * restrict PRIM_PTR_INT__h_s_o_s = INT__h_s_o_s + abcd * 1638;
180 double * restrict PRIM_PTR_INT__h_s_q_s = INT__h_s_q_s + abcd * 1911;
181 double * restrict PRIM_PTR_INT__h_s_r_s = INT__h_s_r_s + abcd * 2205;
182
183
184
185 // Load these one per loop over i
186 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
187 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
188 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
189
190 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
191
192 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
193 {
194 // calculate the shell offsets
195 // these are the offset from the shell pointed to by cd
196 // for each element
197 int shelloffsets[SIMINT_SIMD_LEN] = {0};
198 int lastoffset = 0;
199 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
200
201 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
202 {
203 // Handle if the first element of the vector is a new shell
204 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
205 {
206 nprim_icd += Q.nprim12[cd + (++icd)];
207 PRIM_PTR_INT__h_s_k_s += 756;
208 PRIM_PTR_INT__h_s_l_s += 945;
209 PRIM_PTR_INT__h_s_m_s += 1155;
210 PRIM_PTR_INT__h_s_n_s += 1386;
211 PRIM_PTR_INT__h_s_o_s += 1638;
212 PRIM_PTR_INT__h_s_q_s += 1911;
213 PRIM_PTR_INT__h_s_r_s += 2205;
214 }
215 iprimcd++;
216 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
217 {
218 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
219 {
220 shelloffsets[n] = shelloffsets[n-1] + 1;
221 lastoffset++;
222 nprim_icd += Q.nprim12[cd + (++icd)];
223 }
224 else
225 shelloffsets[n] = shelloffsets[n-1];
226 iprimcd++;
227 }
228 }
229 else
230 iprimcd += SIMINT_SIMD_LEN;
231
232 // Do we have to compute this vector (or has it been screened out)?
233 // (not_screened != 0 means we have to do this vector)
234 if(check_screen)
235 {
236 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
237 if(vmax < screen_tol)
238 {
239 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
240 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
241 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
242 PRIM_PTR_INT__h_s_n_s += lastoffset*1386;
243 PRIM_PTR_INT__h_s_o_s += lastoffset*1638;
244 PRIM_PTR_INT__h_s_q_s += lastoffset*1911;
245 PRIM_PTR_INT__h_s_r_s += lastoffset*2205;
246 continue;
247 }
248 }
249
250 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
251 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
252 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
253 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
254
255
256 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
257 SIMINT_DBLTYPE PQ[3];
258 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
259 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
260 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
261 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
262 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
263 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
264
265 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
266 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
267 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
268 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
269 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
270 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
271 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
272
273 // NOTE: Minus sign!
274 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
275 SIMINT_DBLTYPE aop_PQ[3];
276 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
277 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
278 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
279
280 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
281 SIMINT_DBLTYPE aoq_PQ[3];
282 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
283 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
284 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
285 // Put a minus sign here so we don't have to in RR routines
286 a_over_q = SIMINT_NEG(a_over_q);
287
288
289 //////////////////////////////////////////////
290 // Fjt function section
291 // Maximum v value: 18
292 //////////////////////////////////////////////
293 // The parameter to the Fjt function
294 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
295
296
297 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
298
299
300 boys_F_split(PRIM_INT__s_s_s_s, F_x, 18);
301 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
302 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
303 for(n = 0; n <= 18; n++)
304 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
305
306 //////////////////////////////////////////////
307 // Primitive integrals: Vertical recurrance
308 //////////////////////////////////////////////
309
310 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
311 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
312 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
313 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
314 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
315 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
316 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
317 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
318 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
319 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
320 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
321 const SIMINT_DBLTYPE vrr_const_8_over_2q = SIMINT_MUL(const_8, one_over_2q);
322 const SIMINT_DBLTYPE vrr_const_9_over_2q = SIMINT_MUL(const_9, one_over_2q);
323 const SIMINT_DBLTYPE vrr_const_10_over_2q = SIMINT_MUL(const_10, one_over_2q);
324 const SIMINT_DBLTYPE vrr_const_11_over_2q = SIMINT_MUL(const_11, one_over_2q);
325 const SIMINT_DBLTYPE vrr_const_12_over_2q = SIMINT_MUL(const_12, one_over_2q);
326 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
327 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
328 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
329 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
330 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
331 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
332 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
333 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
334 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
335 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
336 const SIMINT_DBLTYPE vrr_const_11_over_2pq = SIMINT_MUL(const_11, one_over_2pq);
337 const SIMINT_DBLTYPE vrr_const_12_over_2pq = SIMINT_MUL(const_12, one_over_2pq);
338 const SIMINT_DBLTYPE vrr_const_13_over_2pq = SIMINT_MUL(const_13, one_over_2pq);
339
340
341
342 // Forming PRIM_INT__s_s_p_s[18 * 3];
343 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
344 {
345
346 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
347 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]);
348
349 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
350 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]);
351
352 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
353 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]);
354
355 }
356
357
358
359 // Forming PRIM_INT__s_s_d_s[17 * 6];
360 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
361 {
362
363 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
364 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]);
365 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]);
366
367 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
368 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]);
369
370 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
371 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]);
372
373 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
374 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]);
375 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]);
376
377 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
378 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]);
379
380 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
381 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]);
382 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]);
383
384 }
385
386
387
388 // Forming PRIM_INT__s_s_f_s[16 * 10];
389 for(n = 0; n < 16; ++n) // loop over orders of auxiliary function
390 {
391
392 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
393 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]);
394 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]);
395
396 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
397 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]);
398
399 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
400 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]);
401
402 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
403 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]);
404
405 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
406 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]);
407
408 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
409 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]);
410
411 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
412 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]);
413 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]);
414
415 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
416 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]);
417
418 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
419 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]);
420
421 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
422 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]);
423 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]);
424
425 }
426
427
428 VRR_K_s_s_g_s(
429 PRIM_INT__s_s_g_s,
430 PRIM_INT__s_s_f_s,
431 PRIM_INT__s_s_d_s,
432 Q_PA,
433 a_over_q,
434 aoq_PQ,
435 one_over_2q,
436 15);
437
438
439 VRR_K_s_s_h_s(
440 PRIM_INT__s_s_h_s,
441 PRIM_INT__s_s_g_s,
442 PRIM_INT__s_s_f_s,
443 Q_PA,
444 a_over_q,
445 aoq_PQ,
446 one_over_2q,
447 14);
448
449
450 ostei_general_vrr1_K(6, 13,
451 one_over_2q, a_over_q, aoq_PQ, Q_PA,
452 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
453
454
455 ostei_general_vrr1_K(7, 12,
456 one_over_2q, a_over_q, aoq_PQ, Q_PA,
457 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
458
459
460 ostei_general_vrr_I(1, 0, 7, 0, 5,
461 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
462 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
463
464
465 ostei_general_vrr_I(1, 0, 6, 0, 5,
466 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
467 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
468
469
470 ostei_general_vrr_I(2, 0, 7, 0, 4,
471 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
472 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);
473
474
475 ostei_general_vrr_I(1, 0, 5, 0, 5,
476 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
477 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
478
479
480 ostei_general_vrr_I(2, 0, 6, 0, 4,
481 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
482 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);
483
484
485 ostei_general_vrr_I(3, 0, 7, 0, 3,
486 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
487 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);
488
489
490 VRR_I_p_s_g_s(
491 PRIM_INT__p_s_g_s,
492 PRIM_INT__s_s_g_s,
493 PRIM_INT__s_s_f_s,
494 P_PA,
495 aop_PQ,
496 one_over_2pq,
497 5);
498
499
500 ostei_general_vrr_I(2, 0, 5, 0, 4,
501 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
502 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);
503
504
505 ostei_general_vrr_I(3, 0, 6, 0, 3,
506 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
507 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);
508
509
510 ostei_general_vrr_I(4, 0, 7, 0, 2,
511 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
512 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);
513
514
515 VRR_I_p_s_f_s(
516 PRIM_INT__p_s_f_s,
517 PRIM_INT__s_s_f_s,
518 PRIM_INT__s_s_d_s,
519 P_PA,
520 aop_PQ,
521 one_over_2pq,
522 5);
523
524
525 ostei_general_vrr_I(2, 0, 4, 0, 4,
526 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
527 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);
528
529
530 ostei_general_vrr_I(3, 0, 5, 0, 3,
531 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
532 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);
533
534
535 ostei_general_vrr_I(4, 0, 6, 0, 2,
536 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
537 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);
538
539
540 ostei_general_vrr_I(5, 0, 7, 0, 1,
541 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
542 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);
543
544
545 ostei_general_vrr1_K(8, 11,
546 one_over_2q, a_over_q, aoq_PQ, Q_PA,
547 PRIM_INT__s_s_k_s, PRIM_INT__s_s_i_s, PRIM_INT__s_s_l_s);
548
549
550 ostei_general_vrr_I(1, 0, 8, 0, 5,
551 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
552 PRIM_INT__s_s_l_s, NULL, NULL, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_l_s);
553
554
555 ostei_general_vrr_I(2, 0, 8, 0, 4,
556 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
557 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);
558
559
560 ostei_general_vrr_I(3, 0, 8, 0, 3,
561 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
562 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);
563
564
565 ostei_general_vrr_I(4, 0, 8, 0, 2,
566 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
567 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);
568
569
570 ostei_general_vrr_I(5, 0, 8, 0, 1,
571 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
572 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);
573
574
575 ostei_general_vrr1_K(9, 10,
576 one_over_2q, a_over_q, aoq_PQ, Q_PA,
577 PRIM_INT__s_s_l_s, PRIM_INT__s_s_k_s, PRIM_INT__s_s_m_s);
578
579
580 ostei_general_vrr_I(1, 0, 9, 0, 5,
581 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
582 PRIM_INT__s_s_m_s, NULL, NULL, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_m_s);
583
584
585 ostei_general_vrr_I(2, 0, 9, 0, 4,
586 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
587 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);
588
589
590 ostei_general_vrr_I(3, 0, 9, 0, 3,
591 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
592 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);
593
594
595 ostei_general_vrr_I(4, 0, 9, 0, 2,
596 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
597 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);
598
599
600 ostei_general_vrr_I(5, 0, 9, 0, 1,
601 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
602 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);
603
604
605 ostei_general_vrr1_K(10, 9,
606 one_over_2q, a_over_q, aoq_PQ, Q_PA,
607 PRIM_INT__s_s_m_s, PRIM_INT__s_s_l_s, PRIM_INT__s_s_n_s);
608
609
610 ostei_general_vrr_I(1, 0, 10, 0, 5,
611 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
612 PRIM_INT__s_s_n_s, NULL, NULL, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_n_s);
613
614
615 ostei_general_vrr_I(2, 0, 10, 0, 4,
616 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
617 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);
618
619
620 ostei_general_vrr_I(3, 0, 10, 0, 3,
621 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
622 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);
623
624
625 ostei_general_vrr_I(4, 0, 10, 0, 2,
626 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
627 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);
628
629
630 ostei_general_vrr_I(5, 0, 10, 0, 1,
631 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
632 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);
633
634
635 ostei_general_vrr1_K(11, 8,
636 one_over_2q, a_over_q, aoq_PQ, Q_PA,
637 PRIM_INT__s_s_n_s, PRIM_INT__s_s_m_s, PRIM_INT__s_s_o_s);
638
639
640 ostei_general_vrr_I(1, 0, 11, 0, 5,
641 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
642 PRIM_INT__s_s_o_s, NULL, NULL, PRIM_INT__s_s_n_s, NULL, PRIM_INT__p_s_o_s);
643
644
645 ostei_general_vrr_I(2, 0, 11, 0, 4,
646 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
647 PRIM_INT__p_s_o_s, PRIM_INT__s_s_o_s, NULL, PRIM_INT__p_s_n_s, NULL, PRIM_INT__d_s_o_s);
648
649
650 ostei_general_vrr_I(3, 0, 11, 0, 3,
651 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
652 PRIM_INT__d_s_o_s, PRIM_INT__p_s_o_s, NULL, PRIM_INT__d_s_n_s, NULL, PRIM_INT__f_s_o_s);
653
654
655 ostei_general_vrr_I(4, 0, 11, 0, 2,
656 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
657 PRIM_INT__f_s_o_s, PRIM_INT__d_s_o_s, NULL, PRIM_INT__f_s_n_s, NULL, PRIM_INT__g_s_o_s);
658
659
660 ostei_general_vrr_I(5, 0, 11, 0, 1,
661 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
662 PRIM_INT__g_s_o_s, PRIM_INT__f_s_o_s, NULL, PRIM_INT__g_s_n_s, NULL, PRIM_INT__h_s_o_s);
663
664
665 ostei_general_vrr1_K(12, 7,
666 one_over_2q, a_over_q, aoq_PQ, Q_PA,
667 PRIM_INT__s_s_o_s, PRIM_INT__s_s_n_s, PRIM_INT__s_s_q_s);
668
669
670 ostei_general_vrr_I(1, 0, 12, 0, 5,
671 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
672 PRIM_INT__s_s_q_s, NULL, NULL, PRIM_INT__s_s_o_s, NULL, PRIM_INT__p_s_q_s);
673
674
675 ostei_general_vrr_I(2, 0, 12, 0, 4,
676 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
677 PRIM_INT__p_s_q_s, PRIM_INT__s_s_q_s, NULL, PRIM_INT__p_s_o_s, NULL, PRIM_INT__d_s_q_s);
678
679
680 ostei_general_vrr_I(3, 0, 12, 0, 3,
681 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
682 PRIM_INT__d_s_q_s, PRIM_INT__p_s_q_s, NULL, PRIM_INT__d_s_o_s, NULL, PRIM_INT__f_s_q_s);
683
684
685 ostei_general_vrr_I(4, 0, 12, 0, 2,
686 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
687 PRIM_INT__f_s_q_s, PRIM_INT__d_s_q_s, NULL, PRIM_INT__f_s_o_s, NULL, PRIM_INT__g_s_q_s);
688
689
690 ostei_general_vrr_I(5, 0, 12, 0, 1,
691 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
692 PRIM_INT__g_s_q_s, PRIM_INT__f_s_q_s, NULL, PRIM_INT__g_s_o_s, NULL, PRIM_INT__h_s_q_s);
693
694
695 ostei_general_vrr1_K(13, 6,
696 one_over_2q, a_over_q, aoq_PQ, Q_PA,
697 PRIM_INT__s_s_q_s, PRIM_INT__s_s_o_s, PRIM_INT__s_s_r_s);
698
699
700 ostei_general_vrr_I(1, 0, 13, 0, 5,
701 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
702 PRIM_INT__s_s_r_s, NULL, NULL, PRIM_INT__s_s_q_s, NULL, PRIM_INT__p_s_r_s);
703
704
705 ostei_general_vrr_I(2, 0, 13, 0, 4,
706 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
707 PRIM_INT__p_s_r_s, PRIM_INT__s_s_r_s, NULL, PRIM_INT__p_s_q_s, NULL, PRIM_INT__d_s_r_s);
708
709
710 ostei_general_vrr_I(3, 0, 13, 0, 3,
711 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
712 PRIM_INT__d_s_r_s, PRIM_INT__p_s_r_s, NULL, PRIM_INT__d_s_q_s, NULL, PRIM_INT__f_s_r_s);
713
714
715 ostei_general_vrr_I(4, 0, 13, 0, 2,
716 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
717 PRIM_INT__f_s_r_s, PRIM_INT__d_s_r_s, NULL, PRIM_INT__f_s_q_s, NULL, PRIM_INT__g_s_r_s);
718
719
720 ostei_general_vrr_I(5, 0, 13, 0, 1,
721 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
722 PRIM_INT__g_s_r_s, PRIM_INT__f_s_r_s, NULL, PRIM_INT__g_s_q_s, NULL, PRIM_INT__h_s_r_s);
723
724
725
726
727 ////////////////////////////////////
728 // Accumulate contracted integrals
729 ////////////////////////////////////
730 if(lastoffset == 0)
731 {
732 contract_all(756, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
733 contract_all(945, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
734 contract_all(1155, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
735 contract_all(1386, PRIM_INT__h_s_n_s, PRIM_PTR_INT__h_s_n_s);
736 contract_all(1638, PRIM_INT__h_s_o_s, PRIM_PTR_INT__h_s_o_s);
737 contract_all(1911, PRIM_INT__h_s_q_s, PRIM_PTR_INT__h_s_q_s);
738 contract_all(2205, PRIM_INT__h_s_r_s, PRIM_PTR_INT__h_s_r_s);
739 }
740 else
741 {
742 contract(756, shelloffsets, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
743 contract(945, shelloffsets, PRIM_INT__h_s_l_s, PRIM_PTR_INT__h_s_l_s);
744 contract(1155, shelloffsets, PRIM_INT__h_s_m_s, PRIM_PTR_INT__h_s_m_s);
745 contract(1386, shelloffsets, PRIM_INT__h_s_n_s, PRIM_PTR_INT__h_s_n_s);
746 contract(1638, shelloffsets, PRIM_INT__h_s_o_s, PRIM_PTR_INT__h_s_o_s);
747 contract(1911, shelloffsets, PRIM_INT__h_s_q_s, PRIM_PTR_INT__h_s_q_s);
748 contract(2205, shelloffsets, PRIM_INT__h_s_r_s, PRIM_PTR_INT__h_s_r_s);
749 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
750 PRIM_PTR_INT__h_s_l_s += lastoffset*945;
751 PRIM_PTR_INT__h_s_m_s += lastoffset*1155;
752 PRIM_PTR_INT__h_s_n_s += lastoffset*1386;
753 PRIM_PTR_INT__h_s_o_s += lastoffset*1638;
754 PRIM_PTR_INT__h_s_q_s += lastoffset*1911;
755 PRIM_PTR_INT__h_s_r_s += lastoffset*2205;
756 }
757
758 } // close loop over j
759 } // close loop over i
760
761 //Advance to the next batch
762 jstart = SIMINT_SIMD_ROUND(jend);
763
764 //////////////////////////////////////////////
765 // Contracted integrals: Horizontal recurrance
766 //////////////////////////////////////////////
767
768
769
770
771 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
772 {
773 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
774
775 // set up HRR pointers
776 double const * restrict HRR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
777 double const * restrict HRR_INT__h_s_l_s = INT__h_s_l_s + abcd * 945;
778 double const * restrict HRR_INT__h_s_m_s = INT__h_s_m_s + abcd * 1155;
779 double const * restrict HRR_INT__h_s_n_s = INT__h_s_n_s + abcd * 1386;
780 double const * restrict HRR_INT__h_s_o_s = INT__h_s_o_s + abcd * 1638;
781 double const * restrict HRR_INT__h_s_q_s = INT__h_s_q_s + abcd * 1911;
782 double const * restrict HRR_INT__h_s_r_s = INT__h_s_r_s + abcd * 2205;
783 double * restrict HRR_INT__h_s_k_i = INT__h_s_k_i + real_abcd * 21168;
784
785 // form INT__h_s_k_p
786 ostei_general_hrr_L(5, 0, 7, 1, hCD, HRR_INT__h_s_l_s, HRR_INT__h_s_k_s, HRR_INT__h_s_k_p);
787
788 // form INT__h_s_l_p
789 ostei_general_hrr_L(5, 0, 8, 1, hCD, HRR_INT__h_s_m_s, HRR_INT__h_s_l_s, HRR_INT__h_s_l_p);
790
791 // form INT__h_s_m_p
792 ostei_general_hrr_L(5, 0, 9, 1, hCD, HRR_INT__h_s_n_s, HRR_INT__h_s_m_s, HRR_INT__h_s_m_p);
793
794 // form INT__h_s_n_p
795 ostei_general_hrr_L(5, 0, 10, 1, hCD, HRR_INT__h_s_o_s, HRR_INT__h_s_n_s, HRR_INT__h_s_n_p);
796
797 // form INT__h_s_o_p
798 ostei_general_hrr_L(5, 0, 11, 1, hCD, HRR_INT__h_s_q_s, HRR_INT__h_s_o_s, HRR_INT__h_s_o_p);
799
800 // form INT__h_s_q_p
801 ostei_general_hrr_L(5, 0, 12, 1, hCD, HRR_INT__h_s_r_s, HRR_INT__h_s_q_s, HRR_INT__h_s_q_p);
802
803 // form INT__h_s_k_d
804 ostei_general_hrr_L(5, 0, 7, 2, hCD, HRR_INT__h_s_l_p, HRR_INT__h_s_k_p, HRR_INT__h_s_k_d);
805
806 // form INT__h_s_l_d
807 ostei_general_hrr_L(5, 0, 8, 2, hCD, HRR_INT__h_s_m_p, HRR_INT__h_s_l_p, HRR_INT__h_s_l_d);
808
809 // form INT__h_s_m_d
810 ostei_general_hrr_L(5, 0, 9, 2, hCD, HRR_INT__h_s_n_p, HRR_INT__h_s_m_p, HRR_INT__h_s_m_d);
811
812 // form INT__h_s_n_d
813 ostei_general_hrr_L(5, 0, 10, 2, hCD, HRR_INT__h_s_o_p, HRR_INT__h_s_n_p, HRR_INT__h_s_n_d);
814
815 // form INT__h_s_o_d
816 ostei_general_hrr_L(5, 0, 11, 2, hCD, HRR_INT__h_s_q_p, HRR_INT__h_s_o_p, HRR_INT__h_s_o_d);
817
818 // form INT__h_s_k_f
819 ostei_general_hrr_L(5, 0, 7, 3, hCD, HRR_INT__h_s_l_d, HRR_INT__h_s_k_d, HRR_INT__h_s_k_f);
820
821 // form INT__h_s_l_f
822 ostei_general_hrr_L(5, 0, 8, 3, hCD, HRR_INT__h_s_m_d, HRR_INT__h_s_l_d, HRR_INT__h_s_l_f);
823
824 // form INT__h_s_m_f
825 ostei_general_hrr_L(5, 0, 9, 3, hCD, HRR_INT__h_s_n_d, HRR_INT__h_s_m_d, HRR_INT__h_s_m_f);
826
827 // form INT__h_s_n_f
828 ostei_general_hrr_L(5, 0, 10, 3, hCD, HRR_INT__h_s_o_d, HRR_INT__h_s_n_d, HRR_INT__h_s_n_f);
829
830 // form INT__h_s_k_g
831 ostei_general_hrr_L(5, 0, 7, 4, hCD, HRR_INT__h_s_l_f, HRR_INT__h_s_k_f, HRR_INT__h_s_k_g);
832
833 // form INT__h_s_l_g
834 ostei_general_hrr_L(5, 0, 8, 4, hCD, HRR_INT__h_s_m_f, HRR_INT__h_s_l_f, HRR_INT__h_s_l_g);
835
836 // form INT__h_s_m_g
837 ostei_general_hrr_L(5, 0, 9, 4, hCD, HRR_INT__h_s_n_f, HRR_INT__h_s_m_f, HRR_INT__h_s_m_g);
838
839 // form INT__h_s_k_h
840 ostei_general_hrr_L(5, 0, 7, 5, hCD, HRR_INT__h_s_l_g, HRR_INT__h_s_k_g, HRR_INT__h_s_k_h);
841
842 // form INT__h_s_l_h
843 ostei_general_hrr_L(5, 0, 8, 5, hCD, HRR_INT__h_s_m_g, HRR_INT__h_s_l_g, HRR_INT__h_s_l_h);
844
845 // form INT__h_s_k_i
846 ostei_general_hrr_L(5, 0, 7, 6, hCD, HRR_INT__h_s_l_h, HRR_INT__h_s_k_h, HRR_INT__h_s_k_i);
847
848
849 } // close HRR loop
850
851
852 } // close loop cdbatch
853
854 istart = iend;
855 } // close loop over ab
856
857 return P.nshell12_clip * Q.nshell12_clip;
858 }
859
ostei_s_h_k_i(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__s_h_k_i)860 int ostei_s_h_k_i(struct simint_multi_shellpair const P,
861 struct simint_multi_shellpair const Q,
862 double screen_tol,
863 double * const restrict work,
864 double * const restrict INT__s_h_k_i)
865 {
866 double P_AB[3*P.nshell12];
867 struct simint_multi_shellpair P_tmp = P;
868 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
869 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
870 P_tmp.AB_x = P_AB;
871 P_tmp.AB_y = P_AB + P.nshell12;
872 P_tmp.AB_z = P_AB + 2*P.nshell12;
873
874 for(int i = 0; i < P.nshell12; i++)
875 {
876 P_tmp.AB_x[i] = -P.AB_x[i];
877 P_tmp.AB_y[i] = -P.AB_y[i];
878 P_tmp.AB_z[i] = -P.AB_z[i];
879 }
880
881 int ret = ostei_h_s_k_i(P_tmp, Q, screen_tol, work, INT__s_h_k_i);
882 double buffer[21168] SIMINT_ALIGN_ARRAY_DBL;
883
884 for(int q = 0; q < ret; q++)
885 {
886 int idx = 0;
887 for(int a = 0; a < 1; ++a)
888 for(int b = 0; b < 21; ++b)
889 for(int c = 0; c < 36; ++c)
890 for(int d = 0; d < 28; ++d)
891 buffer[idx++] = INT__s_h_k_i[q*21168+b*1008+a*1008+c*28+d];
892
893 memcpy(INT__s_h_k_i+q*21168, buffer, 21168*sizeof(double));
894 }
895
896 return ret;
897 }
898
ostei_h_s_i_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__h_s_i_k)899 int ostei_h_s_i_k(struct simint_multi_shellpair const P,
900 struct simint_multi_shellpair const Q,
901 double screen_tol,
902 double * const restrict work,
903 double * const restrict INT__h_s_i_k)
904 {
905 double Q_AB[3*Q.nshell12];
906 struct simint_multi_shellpair Q_tmp = Q;
907 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
908 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
909 Q_tmp.AB_x = Q_AB;
910 Q_tmp.AB_y = Q_AB + Q.nshell12;
911 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
912
913 for(int i = 0; i < Q.nshell12; i++)
914 {
915 Q_tmp.AB_x[i] = -Q.AB_x[i];
916 Q_tmp.AB_y[i] = -Q.AB_y[i];
917 Q_tmp.AB_z[i] = -Q.AB_z[i];
918 }
919
920 int ret = ostei_h_s_k_i(P, Q_tmp, screen_tol, work, INT__h_s_i_k);
921 double buffer[21168] SIMINT_ALIGN_ARRAY_DBL;
922
923 for(int q = 0; q < ret; q++)
924 {
925 int idx = 0;
926 for(int a = 0; a < 21; ++a)
927 for(int b = 0; b < 1; ++b)
928 for(int c = 0; c < 28; ++c)
929 for(int d = 0; d < 36; ++d)
930 buffer[idx++] = INT__h_s_i_k[q*21168+a*1008+b*1008+d*28+c];
931
932 memcpy(INT__h_s_i_k+q*21168, buffer, 21168*sizeof(double));
933 }
934
935 return ret;
936 }
937
ostei_s_h_i_k(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__s_h_i_k)938 int ostei_s_h_i_k(struct simint_multi_shellpair const P,
939 struct simint_multi_shellpair const Q,
940 double screen_tol,
941 double * const restrict work,
942 double * const restrict INT__s_h_i_k)
943 {
944 double P_AB[3*P.nshell12];
945 struct simint_multi_shellpair P_tmp = P;
946 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
947 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
948 P_tmp.AB_x = P_AB;
949 P_tmp.AB_y = P_AB + P.nshell12;
950 P_tmp.AB_z = P_AB + 2*P.nshell12;
951
952 for(int i = 0; i < P.nshell12; i++)
953 {
954 P_tmp.AB_x[i] = -P.AB_x[i];
955 P_tmp.AB_y[i] = -P.AB_y[i];
956 P_tmp.AB_z[i] = -P.AB_z[i];
957 }
958
959 double Q_AB[3*Q.nshell12];
960 struct simint_multi_shellpair Q_tmp = Q;
961 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
962 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
963 Q_tmp.AB_x = Q_AB;
964 Q_tmp.AB_y = Q_AB + Q.nshell12;
965 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
966
967 for(int i = 0; i < Q.nshell12; i++)
968 {
969 Q_tmp.AB_x[i] = -Q.AB_x[i];
970 Q_tmp.AB_y[i] = -Q.AB_y[i];
971 Q_tmp.AB_z[i] = -Q.AB_z[i];
972 }
973
974 int ret = ostei_h_s_k_i(P_tmp, Q_tmp, screen_tol, work, INT__s_h_i_k);
975 double buffer[21168] SIMINT_ALIGN_ARRAY_DBL;
976
977 for(int q = 0; q < ret; q++)
978 {
979 int idx = 0;
980 for(int a = 0; a < 1; ++a)
981 for(int b = 0; b < 21; ++b)
982 for(int c = 0; c < 28; ++c)
983 for(int d = 0; d < 36; ++d)
984 buffer[idx++] = INT__s_h_i_k[q*21168+b*1008+a*1008+d*28+c];
985
986 memcpy(INT__s_h_i_k+q*21168, buffer, 21168*sizeof(double));
987 }
988
989 return ret;
990 }
991
992