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_i_s_h_d(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__i_s_h_d)8 int ostei_i_s_h_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__i_s_h_d)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__i_s_h_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 ibra;
26
27 // partition workspace
28 double * const INT__i_s_h_s = work + (SIMINT_NSHELL_SIMD * 0);
29 double * const INT__i_s_i_s = work + (SIMINT_NSHELL_SIMD * 588);
30 double * const INT__i_s_k_s = work + (SIMINT_NSHELL_SIMD * 1372);
31 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*2380);
32 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
33 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 14;
34 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 53;
35 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 125;
36 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 235;
37 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 385;
38 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 574;
39 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 798;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 1050;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 1068;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 1122;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 1230;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 1410;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 1680;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 2058;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 2562;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 3210;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 3300;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 3480;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 3780;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 4230;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 4860;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 5700;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 6780;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 7020;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 7420;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 8020;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 8860;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 9980;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 11420;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 11870;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 12545;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 13490;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 14750;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 16370;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 17000;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 17882;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 19058;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 20570;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 21158;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 21942;
73 double * const hrrwork = (double *)(primwork + 22950);
74 double * const HRR_INT__i_s_h_p = hrrwork + 0;
75 double * const HRR_INT__i_s_i_p = hrrwork + 1764;
76
77
78 // Create constants
79 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
80 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
81 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
82 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
83 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
84 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
85 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
86 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
87
88
89 ////////////////////////////////////////
90 // Loop over shells and primitives
91 ////////////////////////////////////////
92
93 real_abcd = 0;
94 istart = 0;
95 for(ab = 0; ab < P.nshell12_clip; ++ab)
96 {
97 const int iend = istart + P.nprim12[ab];
98
99 cd = 0;
100 jstart = 0;
101
102 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
103 {
104 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
105 int jend = jstart;
106 for(i = 0; i < nshellbatch; i++)
107 jend += Q.nprim12[cd+i];
108
109 // Clear the beginning of the workspace (where we are accumulating integrals)
110 memset(work, 0, SIMINT_NSHELL_SIMD * 2380 * sizeof(double));
111 abcd = 0;
112
113
114 for(i = istart; i < iend; ++i)
115 {
116 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
117
118 if(check_screen)
119 {
120 // Skip this whole thing if always insignificant
121 if((P.screen[i] * Q.screen_max) < screen_tol)
122 continue;
123 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
124 }
125
126 icd = 0;
127 iprimcd = 0;
128 nprim_icd = Q.nprim12[cd];
129 double * restrict PRIM_PTR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
130 double * restrict PRIM_PTR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
131 double * restrict PRIM_PTR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
132
133
134
135 // Load these one per loop over i
136 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
137 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
138 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
139
140 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
141
142 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
143 {
144 // calculate the shell offsets
145 // these are the offset from the shell pointed to by cd
146 // for each element
147 int shelloffsets[SIMINT_SIMD_LEN] = {0};
148 int lastoffset = 0;
149 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
150
151 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
152 {
153 // Handle if the first element of the vector is a new shell
154 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
155 {
156 nprim_icd += Q.nprim12[cd + (++icd)];
157 PRIM_PTR_INT__i_s_h_s += 588;
158 PRIM_PTR_INT__i_s_i_s += 784;
159 PRIM_PTR_INT__i_s_k_s += 1008;
160 }
161 iprimcd++;
162 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
163 {
164 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
165 {
166 shelloffsets[n] = shelloffsets[n-1] + 1;
167 lastoffset++;
168 nprim_icd += Q.nprim12[cd + (++icd)];
169 }
170 else
171 shelloffsets[n] = shelloffsets[n-1];
172 iprimcd++;
173 }
174 }
175 else
176 iprimcd += SIMINT_SIMD_LEN;
177
178 // Do we have to compute this vector (or has it been screened out)?
179 // (not_screened != 0 means we have to do this vector)
180 if(check_screen)
181 {
182 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
183 if(vmax < screen_tol)
184 {
185 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
186 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
187 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
188 continue;
189 }
190 }
191
192 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
193 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
194 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
195 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
196
197
198 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
199 SIMINT_DBLTYPE PQ[3];
200 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
201 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
202 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
203 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
204 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
205 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
206
207 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
208 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
209 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
210 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
211 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
212 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
213 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
214
215 // NOTE: Minus sign!
216 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
217 SIMINT_DBLTYPE aop_PQ[3];
218 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
219 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
220 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
221
222 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
223 SIMINT_DBLTYPE aoq_PQ[3];
224 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
225 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
226 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
227 // Put a minus sign here so we don't have to in RR routines
228 a_over_q = SIMINT_NEG(a_over_q);
229
230
231 //////////////////////////////////////////////
232 // Fjt function section
233 // Maximum v value: 13
234 //////////////////////////////////////////////
235 // The parameter to the Fjt function
236 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
237
238
239 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
240
241
242 boys_F_split(PRIM_INT__s_s_s_s, F_x, 13);
243 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
244 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
245 for(n = 0; n <= 13; n++)
246 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
247
248 //////////////////////////////////////////////
249 // Primitive integrals: Vertical recurrance
250 //////////////////////////////////////////////
251
252 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
253 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
254 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
255 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
256 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
257 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
258 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
259 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
260 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
261 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
262 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
263 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
264 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
265 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
266 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
267 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
268 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
269 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
270
271
272
273 // Forming PRIM_INT__s_s_p_s[13 * 3];
274 for(n = 0; n < 13; ++n) // loop over orders of auxiliary function
275 {
276
277 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
278 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]);
279
280 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
281 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]);
282
283 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
284 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]);
285
286 }
287
288
289
290 // Forming PRIM_INT__s_s_d_s[12 * 6];
291 for(n = 0; n < 12; ++n) // loop over orders of auxiliary function
292 {
293
294 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
295 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]);
296 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]);
297
298 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
299 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]);
300
301 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
302 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]);
303
304 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
305 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]);
306 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]);
307
308 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
309 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]);
310
311 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
312 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]);
313 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]);
314
315 }
316
317
318
319 // Forming PRIM_INT__s_s_f_s[11 * 10];
320 for(n = 0; n < 11; ++n) // loop over orders of auxiliary function
321 {
322
323 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
324 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]);
325 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]);
326
327 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
328 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]);
329
330 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
331 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]);
332
333 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
334 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]);
335
336 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
337 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]);
338
339 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
340 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]);
341
342 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
343 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]);
344 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]);
345
346 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
347 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]);
348
349 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
350 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]);
351
352 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
353 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]);
354 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]);
355
356 }
357
358
359 VRR_K_s_s_g_s(
360 PRIM_INT__s_s_g_s,
361 PRIM_INT__s_s_f_s,
362 PRIM_INT__s_s_d_s,
363 Q_PA,
364 a_over_q,
365 aoq_PQ,
366 one_over_2q,
367 10);
368
369
370 VRR_K_s_s_h_s(
371 PRIM_INT__s_s_h_s,
372 PRIM_INT__s_s_g_s,
373 PRIM_INT__s_s_f_s,
374 Q_PA,
375 a_over_q,
376 aoq_PQ,
377 one_over_2q,
378 9);
379
380
381 ostei_general_vrr_I(1, 0, 5, 0, 6,
382 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
383 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
384
385
386 VRR_I_p_s_g_s(
387 PRIM_INT__p_s_g_s,
388 PRIM_INT__s_s_g_s,
389 PRIM_INT__s_s_f_s,
390 P_PA,
391 aop_PQ,
392 one_over_2pq,
393 6);
394
395
396 ostei_general_vrr_I(2, 0, 5, 0, 5,
397 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
398 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);
399
400
401 VRR_I_p_s_f_s(
402 PRIM_INT__p_s_f_s,
403 PRIM_INT__s_s_f_s,
404 PRIM_INT__s_s_d_s,
405 P_PA,
406 aop_PQ,
407 one_over_2pq,
408 6);
409
410
411 ostei_general_vrr_I(2, 0, 4, 0, 5,
412 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
413 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);
414
415
416 ostei_general_vrr_I(3, 0, 5, 0, 4,
417 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
418 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);
419
420
421
422 // Forming PRIM_INT__p_s_d_s[6 * 18];
423 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
424 {
425
426 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
427 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
428 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
429
430 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
431 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
432 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 1]);
433
434 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
435 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
436 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 2]);
437
438 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
439 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 3]);
440
441 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
442 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 4]);
443
444 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
445 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 5]);
446
447 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
448 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 6]);
449
450 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
451 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 7]);
452 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]);
453
454 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
455 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 8]);
456
457 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
458 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 9]);
459 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 9]);
460
461 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
462 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 10]);
463 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 10]);
464
465 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
466 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
467
468 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
469 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 0], PRIM_INT__p_s_d_s[n * 18 + 12]);
470
471 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
472 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 1], PRIM_INT__p_s_d_s[n * 18 + 13]);
473
474 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
475 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 2], PRIM_INT__p_s_d_s[n * 18 + 14]);
476 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 14]);
477
478 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
479 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 3], PRIM_INT__p_s_d_s[n * 18 + 15]);
480
481 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
482 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 4], PRIM_INT__p_s_d_s[n * 18 + 16]);
483 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 16]);
484
485 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
486 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_d_s[(n+1) * 6 + 5], PRIM_INT__p_s_d_s[n * 18 + 17]);
487 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_2_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 17]);
488
489 }
490
491
492 VRR_I_d_s_f_s(
493 PRIM_INT__d_s_f_s,
494 PRIM_INT__p_s_f_s,
495 PRIM_INT__s_s_f_s,
496 PRIM_INT__p_s_d_s,
497 P_PA,
498 a_over_p,
499 aop_PQ,
500 one_over_2p,
501 one_over_2pq,
502 5);
503
504
505 ostei_general_vrr_I(3, 0, 4, 0, 4,
506 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
507 PRIM_INT__d_s_g_s, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
508
509
510 ostei_general_vrr_I(4, 0, 5, 0, 3,
511 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
512 PRIM_INT__f_s_h_s, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
513
514
515
516 // Forming PRIM_INT__p_s_p_s[6 * 9];
517 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
518 {
519
520 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
521 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
522 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]);
523
524 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
525 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 1]);
526
527 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
528 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 2]);
529
530 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
531 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 3]);
532
533 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
534 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
535 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]);
536
537 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
538 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 5]);
539
540 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
541 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 6]);
542
543 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
544 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 7]);
545
546 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
547 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
548 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]);
549
550 }
551
552
553 VRR_I_d_s_d_s(
554 PRIM_INT__d_s_d_s,
555 PRIM_INT__p_s_d_s,
556 PRIM_INT__s_s_d_s,
557 PRIM_INT__p_s_p_s,
558 P_PA,
559 a_over_p,
560 aop_PQ,
561 one_over_2p,
562 one_over_2pq,
563 5);
564
565
566 ostei_general_vrr_I(3, 0, 3, 0, 4,
567 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
568 PRIM_INT__d_s_f_s, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
569
570
571 ostei_general_vrr_I(4, 0, 4, 0, 3,
572 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
573 PRIM_INT__f_s_g_s, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
574
575
576 ostei_general_vrr_I(5, 0, 5, 0, 2,
577 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
578 PRIM_INT__g_s_h_s, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
579
580
581
582 // Forming PRIM_INT__p_s_s_s[6 * 3];
583 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
584 {
585
586 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
587 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]);
588
589 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
590 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]);
591
592 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
593 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]);
594
595 }
596
597
598
599 // Forming PRIM_INT__d_s_p_s[5 * 18];
600 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
601 {
602
603 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
604 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
605 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 0]);
606 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__d_s_p_s[n * 18 + 0]);
607
608 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 1]);
609 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__d_s_p_s[n * 18 + 1]);
610 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 1]);
611
612 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 2]);
613 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( aop_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__d_s_p_s[n * 18 + 2]);
614 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 2]);
615
616 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
617 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__d_s_p_s[n * 18 + 9]);
618 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 9]);
619
620 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
621 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__d_s_p_s[n * 18 + 10]);
622 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 10]);
623 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__d_s_p_s[n * 18 + 10]);
624
625 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 5]);
626 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( aop_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__d_s_p_s[n * 18 + 11]);
627 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 11]);
628
629 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 6]);
630 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__d_s_p_s[n * 18 + 15]);
631 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__s_s_p_s[n * 3 + 0]), PRIM_INT__d_s_p_s[n * 18 + 15]);
632
633 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 7]);
634 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__d_s_p_s[n * 18 + 16]);
635 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__s_s_p_s[n * 3 + 1]), PRIM_INT__d_s_p_s[n * 18 + 16]);
636
637 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
638 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( aop_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__d_s_p_s[n * 18 + 17]);
639 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2p, SIMINT_FMADD(a_over_p, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__s_s_p_s[n * 3 + 2]), PRIM_INT__d_s_p_s[n * 18 + 17]);
640 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__d_s_p_s[n * 18 + 17]);
641
642 }
643
644
645 VRR_I_f_s_d_s(
646 PRIM_INT__f_s_d_s,
647 PRIM_INT__d_s_d_s,
648 PRIM_INT__p_s_d_s,
649 PRIM_INT__d_s_p_s,
650 P_PA,
651 a_over_p,
652 aop_PQ,
653 one_over_2p,
654 one_over_2pq,
655 4);
656
657
658 ostei_general_vrr_I(4, 0, 3, 0, 3,
659 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
660 PRIM_INT__f_s_f_s, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_d_s, NULL, PRIM_INT__g_s_f_s);
661
662
663 ostei_general_vrr_I(5, 0, 4, 0, 2,
664 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
665 PRIM_INT__g_s_g_s, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
666
667
668 ostei_general_vrr_I(6, 0, 5, 0, 1,
669 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
670 PRIM_INT__h_s_h_s, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_g_s, NULL, PRIM_INT__i_s_h_s);
671
672
673 ostei_general_vrr1_K(6, 8,
674 one_over_2q, a_over_q, aoq_PQ, Q_PA,
675 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
676
677
678 ostei_general_vrr_I(1, 0, 6, 0, 6,
679 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
680 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
681
682
683 ostei_general_vrr_I(2, 0, 6, 0, 5,
684 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
685 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);
686
687
688 ostei_general_vrr_I(3, 0, 6, 0, 4,
689 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
690 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);
691
692
693 ostei_general_vrr_I(4, 0, 6, 0, 3,
694 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
695 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);
696
697
698 ostei_general_vrr_I(5, 0, 6, 0, 2,
699 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
700 PRIM_INT__g_s_i_s, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_i_s);
701
702
703 ostei_general_vrr_I(6, 0, 6, 0, 1,
704 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
705 PRIM_INT__h_s_i_s, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_i_s);
706
707
708 ostei_general_vrr1_K(7, 7,
709 one_over_2q, a_over_q, aoq_PQ, Q_PA,
710 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
711
712
713 ostei_general_vrr_I(1, 0, 7, 0, 6,
714 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
715 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
716
717
718 ostei_general_vrr_I(2, 0, 7, 0, 5,
719 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
720 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);
721
722
723 ostei_general_vrr_I(3, 0, 7, 0, 4,
724 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
725 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);
726
727
728 ostei_general_vrr_I(4, 0, 7, 0, 3,
729 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
730 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);
731
732
733 ostei_general_vrr_I(5, 0, 7, 0, 2,
734 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
735 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);
736
737
738 ostei_general_vrr_I(6, 0, 7, 0, 1,
739 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
740 PRIM_INT__h_s_k_s, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_k_s);
741
742
743
744
745 ////////////////////////////////////
746 // Accumulate contracted integrals
747 ////////////////////////////////////
748 if(lastoffset == 0)
749 {
750 contract_all(588, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
751 contract_all(784, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
752 contract_all(1008, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
753 }
754 else
755 {
756 contract(588, shelloffsets, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
757 contract(784, shelloffsets, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
758 contract(1008, shelloffsets, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
759 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
760 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
761 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
762 }
763
764 } // close loop over j
765 } // close loop over i
766
767 //Advance to the next batch
768 jstart = SIMINT_SIMD_ROUND(jend);
769
770 //////////////////////////////////////////////
771 // Contracted integrals: Horizontal recurrance
772 //////////////////////////////////////////////
773
774
775
776
777 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
778 {
779 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
780
781 // set up HRR pointers
782 double const * restrict HRR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
783 double const * restrict HRR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
784 double const * restrict HRR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
785 double * restrict HRR_INT__i_s_h_d = INT__i_s_h_d + real_abcd * 3528;
786
787 // form INT__i_s_h_p
788 ostei_general_hrr_L(6, 0, 5, 1, hCD, HRR_INT__i_s_i_s, HRR_INT__i_s_h_s, HRR_INT__i_s_h_p);
789
790 // form INT__i_s_i_p
791 ostei_general_hrr_L(6, 0, 6, 1, hCD, HRR_INT__i_s_k_s, HRR_INT__i_s_i_s, HRR_INT__i_s_i_p);
792
793 // form INT__i_s_h_d
794 ostei_general_hrr_L(6, 0, 5, 2, hCD, HRR_INT__i_s_i_p, HRR_INT__i_s_h_p, HRR_INT__i_s_h_d);
795
796
797 } // close HRR loop
798
799
800 } // close loop cdbatch
801
802 istart = iend;
803 } // close loop over ab
804
805 return P.nshell12_clip * Q.nshell12_clip;
806 }
807
ostei_s_i_h_d(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__s_i_h_d)808 int ostei_s_i_h_d(struct simint_multi_shellpair const P,
809 struct simint_multi_shellpair const Q,
810 double screen_tol,
811 double * const restrict work,
812 double * const restrict INT__s_i_h_d)
813 {
814 double P_AB[3*P.nshell12];
815 struct simint_multi_shellpair P_tmp = P;
816 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
817 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
818 P_tmp.AB_x = P_AB;
819 P_tmp.AB_y = P_AB + P.nshell12;
820 P_tmp.AB_z = P_AB + 2*P.nshell12;
821
822 for(int i = 0; i < P.nshell12; i++)
823 {
824 P_tmp.AB_x[i] = -P.AB_x[i];
825 P_tmp.AB_y[i] = -P.AB_y[i];
826 P_tmp.AB_z[i] = -P.AB_z[i];
827 }
828
829 int ret = ostei_i_s_h_d(P_tmp, Q, screen_tol, work, INT__s_i_h_d);
830 double buffer[3528] SIMINT_ALIGN_ARRAY_DBL;
831
832 for(int q = 0; q < ret; q++)
833 {
834 int idx = 0;
835 for(int a = 0; a < 1; ++a)
836 for(int b = 0; b < 28; ++b)
837 for(int c = 0; c < 21; ++c)
838 for(int d = 0; d < 6; ++d)
839 buffer[idx++] = INT__s_i_h_d[q*3528+b*126+a*126+c*6+d];
840
841 memcpy(INT__s_i_h_d+q*3528, buffer, 3528*sizeof(double));
842 }
843
844 return ret;
845 }
846
ostei_i_s_d_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__i_s_d_h)847 int ostei_i_s_d_h(struct simint_multi_shellpair const P,
848 struct simint_multi_shellpair const Q,
849 double screen_tol,
850 double * const restrict work,
851 double * const restrict INT__i_s_d_h)
852 {
853 double Q_AB[3*Q.nshell12];
854 struct simint_multi_shellpair Q_tmp = Q;
855 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
856 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
857 Q_tmp.AB_x = Q_AB;
858 Q_tmp.AB_y = Q_AB + Q.nshell12;
859 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
860
861 for(int i = 0; i < Q.nshell12; i++)
862 {
863 Q_tmp.AB_x[i] = -Q.AB_x[i];
864 Q_tmp.AB_y[i] = -Q.AB_y[i];
865 Q_tmp.AB_z[i] = -Q.AB_z[i];
866 }
867
868 int ret = ostei_i_s_h_d(P, Q_tmp, screen_tol, work, INT__i_s_d_h);
869 double buffer[3528] SIMINT_ALIGN_ARRAY_DBL;
870
871 for(int q = 0; q < ret; q++)
872 {
873 int idx = 0;
874 for(int a = 0; a < 28; ++a)
875 for(int b = 0; b < 1; ++b)
876 for(int c = 0; c < 6; ++c)
877 for(int d = 0; d < 21; ++d)
878 buffer[idx++] = INT__i_s_d_h[q*3528+a*126+b*126+d*6+c];
879
880 memcpy(INT__i_s_d_h+q*3528, buffer, 3528*sizeof(double));
881 }
882
883 return ret;
884 }
885
ostei_s_i_d_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__s_i_d_h)886 int ostei_s_i_d_h(struct simint_multi_shellpair const P,
887 struct simint_multi_shellpair const Q,
888 double screen_tol,
889 double * const restrict work,
890 double * const restrict INT__s_i_d_h)
891 {
892 double P_AB[3*P.nshell12];
893 struct simint_multi_shellpair P_tmp = P;
894 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
895 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
896 P_tmp.AB_x = P_AB;
897 P_tmp.AB_y = P_AB + P.nshell12;
898 P_tmp.AB_z = P_AB + 2*P.nshell12;
899
900 for(int i = 0; i < P.nshell12; i++)
901 {
902 P_tmp.AB_x[i] = -P.AB_x[i];
903 P_tmp.AB_y[i] = -P.AB_y[i];
904 P_tmp.AB_z[i] = -P.AB_z[i];
905 }
906
907 double Q_AB[3*Q.nshell12];
908 struct simint_multi_shellpair Q_tmp = Q;
909 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
910 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
911 Q_tmp.AB_x = Q_AB;
912 Q_tmp.AB_y = Q_AB + Q.nshell12;
913 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
914
915 for(int i = 0; i < Q.nshell12; i++)
916 {
917 Q_tmp.AB_x[i] = -Q.AB_x[i];
918 Q_tmp.AB_y[i] = -Q.AB_y[i];
919 Q_tmp.AB_z[i] = -Q.AB_z[i];
920 }
921
922 int ret = ostei_i_s_h_d(P_tmp, Q_tmp, screen_tol, work, INT__s_i_d_h);
923 double buffer[3528] SIMINT_ALIGN_ARRAY_DBL;
924
925 for(int q = 0; q < ret; q++)
926 {
927 int idx = 0;
928 for(int a = 0; a < 1; ++a)
929 for(int b = 0; b < 28; ++b)
930 for(int c = 0; c < 6; ++c)
931 for(int d = 0; d < 21; ++d)
932 buffer[idx++] = INT__s_i_d_h[q*3528+b*126+a*126+d*6+c];
933
934 memcpy(INT__s_i_d_h+q*3528, buffer, 3528*sizeof(double));
935 }
936
937 return ret;
938 }
939
940