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_k_k_i_s(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__k_k_i_s)8 int ostei_k_k_i_s(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__k_k_i_s)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__k_k_i_s);
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
27 // partition workspace
28 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 0);
29 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 1008);
30 double * const INT__m_s_i_s = work + (SIMINT_NSHELL_SIMD * 2268);
31 double * const INT__n_s_i_s = work + (SIMINT_NSHELL_SIMD * 3808);
32 double * const INT__o_s_i_s = work + (SIMINT_NSHELL_SIMD * 5656);
33 double * const INT__q_s_i_s = work + (SIMINT_NSHELL_SIMD * 7840);
34 double * const INT__r_s_i_s = work + (SIMINT_NSHELL_SIMD * 10388);
35 double * const INT__t_s_i_s = work + (SIMINT_NSHELL_SIMD * 13328);
36 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*16688);
37 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
38 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 21;
39 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 81;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 195;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 303;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 483;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 663;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 963;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 1218;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 1488;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 1938;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 2538;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 2874;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 3252;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 3882;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 4722;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 5667;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 6087;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 6591;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 7431;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 8551;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 9811;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_s_s = primwork + 10987;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_p_s = primwork + 11491;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_d_s = primwork + 12139;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_f_s = primwork + 13219;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 14659;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 16279;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 17791;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_s_s = primwork + 18799;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_p_s = primwork + 19384;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_d_s = primwork + 20194;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_f_s = primwork + 21544;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_g_s = primwork + 23344;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 25369;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 27259;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_s_s = primwork + 28519;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_p_s = primwork + 29179;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_d_s = primwork + 30169;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_f_s = primwork + 31819;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_g_s = primwork + 34019;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_h_s = primwork + 36494;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_i_s = primwork + 38804;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_s_s = primwork + 40344;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_p_s = primwork + 41070;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_d_s = primwork + 42258;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_f_s = primwork + 44238;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_g_s = primwork + 46878;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_h_s = primwork + 49848;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_i_s = primwork + 52620;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_s_s = primwork + 54468;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_p_s = primwork + 55248;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_d_s = primwork + 56652;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_f_s = primwork + 58992;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_g_s = primwork + 62112;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_h_s = primwork + 65622;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_i_s = primwork + 68898;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_s_s = primwork + 71082;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_p_s = primwork + 71901;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_d_s = primwork + 73539;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_f_s = primwork + 76269;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_g_s = primwork + 79909;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_h_s = primwork + 84004;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__q_s_i_s = primwork + 87826;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_s_s = primwork + 90374;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_p_s = primwork + 91214;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_d_s = primwork + 93104;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_f_s = primwork + 96254;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_g_s = primwork + 100454;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_h_s = primwork + 105179;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__r_s_i_s = primwork + 109589;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_s_s = primwork + 112529;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_p_s = primwork + 113369;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_d_s = primwork + 115529;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_f_s = primwork + 119129;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_g_s = primwork + 123929;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_h_s = primwork + 129329;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__t_s_i_s = primwork + 134369;
115 double * const hrrwork = (double *)(primwork + 137729);
116 double * const HRR_INT__k_p_i_s = hrrwork + 0;
117 double * const HRR_INT__k_d_i_s = hrrwork + 3024;
118 double * const HRR_INT__k_f_i_s = hrrwork + 9072;
119 double * const HRR_INT__k_g_i_s = hrrwork + 19152;
120 double * const HRR_INT__k_h_i_s = hrrwork + 34272;
121 double * const HRR_INT__k_i_i_s = hrrwork + 55440;
122 double * const HRR_INT__l_p_i_s = hrrwork + 83664;
123 double * const HRR_INT__l_d_i_s = hrrwork + 87444;
124 double * const HRR_INT__l_f_i_s = hrrwork + 95004;
125 double * const HRR_INT__l_g_i_s = hrrwork + 107604;
126 double * const HRR_INT__l_h_i_s = hrrwork + 126504;
127 double * const HRR_INT__l_i_i_s = hrrwork + 152964;
128 double * const HRR_INT__m_p_i_s = hrrwork + 188244;
129 double * const HRR_INT__m_d_i_s = hrrwork + 192864;
130 double * const HRR_INT__m_f_i_s = hrrwork + 202104;
131 double * const HRR_INT__m_g_i_s = hrrwork + 217504;
132 double * const HRR_INT__m_h_i_s = hrrwork + 240604;
133 double * const HRR_INT__n_p_i_s = hrrwork + 272944;
134 double * const HRR_INT__n_d_i_s = hrrwork + 278488;
135 double * const HRR_INT__n_f_i_s = hrrwork + 289576;
136 double * const HRR_INT__n_g_i_s = hrrwork + 308056;
137 double * const HRR_INT__o_p_i_s = hrrwork + 335776;
138 double * const HRR_INT__o_d_i_s = hrrwork + 342328;
139 double * const HRR_INT__o_f_i_s = hrrwork + 355432;
140 double * const HRR_INT__q_p_i_s = hrrwork + 377272;
141 double * const HRR_INT__q_d_i_s = hrrwork + 384916;
142 double * const HRR_INT__r_p_i_s = hrrwork + 400204;
143
144
145 // Create constants
146 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
147 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
148 const SIMINT_DBLTYPE const_11 = SIMINT_DBLSET1(11);
149 const SIMINT_DBLTYPE const_12 = SIMINT_DBLSET1(12);
150 const SIMINT_DBLTYPE const_13 = SIMINT_DBLSET1(13);
151 const SIMINT_DBLTYPE const_14 = SIMINT_DBLSET1(14);
152 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
153 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
154 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
155 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
156 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
157 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
158 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
159 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
160 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
161
162
163 ////////////////////////////////////////
164 // Loop over shells and primitives
165 ////////////////////////////////////////
166
167 real_abcd = 0;
168 istart = 0;
169 for(ab = 0; ab < P.nshell12_clip; ++ab)
170 {
171 const int iend = istart + P.nprim12[ab];
172
173 cd = 0;
174 jstart = 0;
175
176 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
177 {
178 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
179 int jend = jstart;
180 for(i = 0; i < nshellbatch; i++)
181 jend += Q.nprim12[cd+i];
182
183 // Clear the beginning of the workspace (where we are accumulating integrals)
184 memset(work, 0, SIMINT_NSHELL_SIMD * 16688 * sizeof(double));
185 abcd = 0;
186
187
188 for(i = istart; i < iend; ++i)
189 {
190 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
191
192 if(check_screen)
193 {
194 // Skip this whole thing if always insignificant
195 if((P.screen[i] * Q.screen_max) < screen_tol)
196 continue;
197 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
198 }
199
200 icd = 0;
201 iprimcd = 0;
202 nprim_icd = Q.nprim12[cd];
203 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
204 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
205 double * restrict PRIM_PTR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
206 double * restrict PRIM_PTR_INT__n_s_i_s = INT__n_s_i_s + abcd * 1848;
207 double * restrict PRIM_PTR_INT__o_s_i_s = INT__o_s_i_s + abcd * 2184;
208 double * restrict PRIM_PTR_INT__q_s_i_s = INT__q_s_i_s + abcd * 2548;
209 double * restrict PRIM_PTR_INT__r_s_i_s = INT__r_s_i_s + abcd * 2940;
210 double * restrict PRIM_PTR_INT__t_s_i_s = INT__t_s_i_s + abcd * 3360;
211
212
213
214 // Load these one per loop over i
215 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
216 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
217 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
218
219 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
220
221 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
222 {
223 // calculate the shell offsets
224 // these are the offset from the shell pointed to by cd
225 // for each element
226 int shelloffsets[SIMINT_SIMD_LEN] = {0};
227 int lastoffset = 0;
228 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
229
230 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
231 {
232 // Handle if the first element of the vector is a new shell
233 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
234 {
235 nprim_icd += Q.nprim12[cd + (++icd)];
236 PRIM_PTR_INT__k_s_i_s += 1008;
237 PRIM_PTR_INT__l_s_i_s += 1260;
238 PRIM_PTR_INT__m_s_i_s += 1540;
239 PRIM_PTR_INT__n_s_i_s += 1848;
240 PRIM_PTR_INT__o_s_i_s += 2184;
241 PRIM_PTR_INT__q_s_i_s += 2548;
242 PRIM_PTR_INT__r_s_i_s += 2940;
243 PRIM_PTR_INT__t_s_i_s += 3360;
244 }
245 iprimcd++;
246 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
247 {
248 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
249 {
250 shelloffsets[n] = shelloffsets[n-1] + 1;
251 lastoffset++;
252 nprim_icd += Q.nprim12[cd + (++icd)];
253 }
254 else
255 shelloffsets[n] = shelloffsets[n-1];
256 iprimcd++;
257 }
258 }
259 else
260 iprimcd += SIMINT_SIMD_LEN;
261
262 // Do we have to compute this vector (or has it been screened out)?
263 // (not_screened != 0 means we have to do this vector)
264 if(check_screen)
265 {
266 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
267 if(vmax < screen_tol)
268 {
269 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
270 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
271 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
272 PRIM_PTR_INT__n_s_i_s += lastoffset*1848;
273 PRIM_PTR_INT__o_s_i_s += lastoffset*2184;
274 PRIM_PTR_INT__q_s_i_s += lastoffset*2548;
275 PRIM_PTR_INT__r_s_i_s += lastoffset*2940;
276 PRIM_PTR_INT__t_s_i_s += lastoffset*3360;
277 continue;
278 }
279 }
280
281 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
282 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
283 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
284 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
285
286
287 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
288 SIMINT_DBLTYPE PQ[3];
289 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
290 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
291 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
292 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
293 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
294 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
295
296 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
297 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
298 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
299 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
300 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
301 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
302 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
303
304 // NOTE: Minus sign!
305 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
306 SIMINT_DBLTYPE aop_PQ[3];
307 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
308 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
309 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
310
311 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
312 SIMINT_DBLTYPE aoq_PQ[3];
313 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
314 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
315 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
316 // Put a minus sign here so we don't have to in RR routines
317 a_over_q = SIMINT_NEG(a_over_q);
318
319
320 //////////////////////////////////////////////
321 // Fjt function section
322 // Maximum v value: 20
323 //////////////////////////////////////////////
324 // The parameter to the Fjt function
325 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
326
327
328 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
329
330
331 boys_F_split(PRIM_INT__s_s_s_s, F_x, 20);
332 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
333 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
334 for(n = 0; n <= 20; n++)
335 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
336
337 //////////////////////////////////////////////
338 // Primitive integrals: Vertical recurrance
339 //////////////////////////////////////////////
340
341 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
342 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
343 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
344 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
345 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
346 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
347 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
348 const SIMINT_DBLTYPE vrr_const_8_over_2p = SIMINT_MUL(const_8, one_over_2p);
349 const SIMINT_DBLTYPE vrr_const_9_over_2p = SIMINT_MUL(const_9, one_over_2p);
350 const SIMINT_DBLTYPE vrr_const_10_over_2p = SIMINT_MUL(const_10, one_over_2p);
351 const SIMINT_DBLTYPE vrr_const_11_over_2p = SIMINT_MUL(const_11, one_over_2p);
352 const SIMINT_DBLTYPE vrr_const_12_over_2p = SIMINT_MUL(const_12, one_over_2p);
353 const SIMINT_DBLTYPE vrr_const_13_over_2p = SIMINT_MUL(const_13, one_over_2p);
354 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
355 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
356 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
357 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
358 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
359 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
360 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
361 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
362 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
363 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
364 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
365 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
366 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
367 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
368 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
369 const SIMINT_DBLTYPE vrr_const_11_over_2pq = SIMINT_MUL(const_11, one_over_2pq);
370 const SIMINT_DBLTYPE vrr_const_12_over_2pq = SIMINT_MUL(const_12, one_over_2pq);
371 const SIMINT_DBLTYPE vrr_const_13_over_2pq = SIMINT_MUL(const_13, one_over_2pq);
372 const SIMINT_DBLTYPE vrr_const_14_over_2pq = SIMINT_MUL(const_14, one_over_2pq);
373
374
375
376 // Forming PRIM_INT__p_s_s_s[20 * 3];
377 for(n = 0; n < 20; ++n) // loop over orders of auxiliary function
378 {
379
380 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
381 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]);
382
383 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
384 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]);
385
386 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
387 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]);
388
389 }
390
391
392
393 // Forming PRIM_INT__d_s_s_s[19 * 6];
394 for(n = 0; n < 19; ++n) // loop over orders of auxiliary function
395 {
396
397 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
398 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]);
399 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]);
400
401 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
402 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]);
403
404 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
405 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]);
406
407 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
408 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]);
409 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]);
410
411 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
412 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]);
413
414 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
415 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]);
416 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]);
417
418 }
419
420
421
422 // Forming PRIM_INT__f_s_s_s[18 * 10];
423 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
424 {
425
426 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
427 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]);
428 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]);
429
430 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
431 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]);
432
433 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
434 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]);
435
436 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
437 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]);
438
439 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
440 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]);
441
442 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
443 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]);
444
445 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
446 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]);
447 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]);
448
449 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
450 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]);
451
452 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
453 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]);
454
455 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
456 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]);
457 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]);
458
459 }
460
461
462 VRR_I_g_s_s_s(
463 PRIM_INT__g_s_s_s,
464 PRIM_INT__f_s_s_s,
465 PRIM_INT__d_s_s_s,
466 P_PA,
467 a_over_p,
468 aop_PQ,
469 one_over_2p,
470 17);
471
472
473 VRR_I_h_s_s_s(
474 PRIM_INT__h_s_s_s,
475 PRIM_INT__g_s_s_s,
476 PRIM_INT__f_s_s_s,
477 P_PA,
478 a_over_p,
479 aop_PQ,
480 one_over_2p,
481 16);
482
483
484 ostei_general_vrr1_I(6, 15,
485 one_over_2p, a_over_p, aop_PQ, P_PA,
486 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
487
488
489 ostei_general_vrr1_I(7, 14,
490 one_over_2p, a_over_p, aop_PQ, P_PA,
491 PRIM_INT__i_s_s_s, PRIM_INT__h_s_s_s, PRIM_INT__k_s_s_s);
492
493
494 ostei_general_vrr_K(7, 0, 1, 0, 6,
495 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
496 PRIM_INT__k_s_s_s, NULL, NULL, PRIM_INT__i_s_s_s, NULL, PRIM_INT__k_s_p_s);
497
498
499 ostei_general_vrr_K(6, 0, 1, 0, 6,
500 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
501 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
502
503
504 ostei_general_vrr_K(7, 0, 2, 0, 5,
505 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
506 PRIM_INT__k_s_p_s, PRIM_INT__k_s_s_s, NULL, PRIM_INT__i_s_p_s, NULL, PRIM_INT__k_s_d_s);
507
508
509 ostei_general_vrr_K(5, 0, 1, 0, 6,
510 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
511 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
512
513
514 ostei_general_vrr_K(6, 0, 2, 0, 5,
515 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
516 PRIM_INT__i_s_p_s, PRIM_INT__i_s_s_s, NULL, PRIM_INT__h_s_p_s, NULL, PRIM_INT__i_s_d_s);
517
518
519 ostei_general_vrr_K(7, 0, 3, 0, 4,
520 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
521 PRIM_INT__k_s_d_s, PRIM_INT__k_s_p_s, NULL, PRIM_INT__i_s_d_s, NULL, PRIM_INT__k_s_f_s);
522
523
524 VRR_K_g_s_p_s(
525 PRIM_INT__g_s_p_s,
526 PRIM_INT__g_s_s_s,
527 PRIM_INT__f_s_s_s,
528 Q_PA,
529 aoq_PQ,
530 one_over_2pq,
531 6);
532
533
534 ostei_general_vrr_K(5, 0, 2, 0, 5,
535 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
536 PRIM_INT__h_s_p_s, PRIM_INT__h_s_s_s, NULL, PRIM_INT__g_s_p_s, NULL, PRIM_INT__h_s_d_s);
537
538
539 ostei_general_vrr_K(6, 0, 3, 0, 4,
540 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
541 PRIM_INT__i_s_d_s, PRIM_INT__i_s_p_s, NULL, PRIM_INT__h_s_d_s, NULL, PRIM_INT__i_s_f_s);
542
543
544 ostei_general_vrr_K(7, 0, 4, 0, 3,
545 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
546 PRIM_INT__k_s_f_s, PRIM_INT__k_s_d_s, NULL, PRIM_INT__i_s_f_s, NULL, PRIM_INT__k_s_g_s);
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 6);
557
558
559 ostei_general_vrr_K(4, 0, 2, 0, 5,
560 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
561 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);
562
563
564 ostei_general_vrr_K(5, 0, 3, 0, 4,
565 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
566 PRIM_INT__h_s_d_s, PRIM_INT__h_s_p_s, NULL, PRIM_INT__g_s_d_s, NULL, PRIM_INT__h_s_f_s);
567
568
569 ostei_general_vrr_K(6, 0, 4, 0, 3,
570 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
571 PRIM_INT__i_s_f_s, PRIM_INT__i_s_d_s, NULL, PRIM_INT__h_s_f_s, NULL, PRIM_INT__i_s_g_s);
572
573
574 ostei_general_vrr_K(7, 0, 5, 0, 2,
575 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
576 PRIM_INT__k_s_g_s, PRIM_INT__k_s_f_s, NULL, PRIM_INT__i_s_g_s, NULL, PRIM_INT__k_s_h_s);
577
578
579
580 // Forming PRIM_INT__d_s_p_s[6 * 18];
581 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
582 {
583
584 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
585 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]);
586 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]);
587
588 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
589 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]);
590
591 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
592 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]);
593
594 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
595 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]);
596 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]);
597
598 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
599 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]);
600 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]);
601
602 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
603 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]);
604
605 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
606 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]);
607 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]);
608
609 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
610 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]);
611
612 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
613 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]);
614 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]);
615
616 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
617 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]);
618
619 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
620 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]);
621 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]);
622
623 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
624 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]);
625
626 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
627 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]);
628
629 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
630 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]);
631 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]);
632
633 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
634 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]);
635 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]);
636
637 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
638 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]);
639
640 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
641 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]);
642
643 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
644 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]);
645 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]);
646
647 }
648
649
650 VRR_K_f_s_d_s(
651 PRIM_INT__f_s_d_s,
652 PRIM_INT__f_s_p_s,
653 PRIM_INT__f_s_s_s,
654 PRIM_INT__d_s_p_s,
655 Q_PA,
656 a_over_q,
657 aoq_PQ,
658 one_over_2pq,
659 one_over_2q,
660 5);
661
662
663 ostei_general_vrr_K(4, 0, 3, 0, 4,
664 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
665 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);
666
667
668 ostei_general_vrr_K(5, 0, 4, 0, 3,
669 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
670 PRIM_INT__h_s_f_s, PRIM_INT__h_s_d_s, NULL, PRIM_INT__g_s_f_s, NULL, PRIM_INT__h_s_g_s);
671
672
673 ostei_general_vrr_K(6, 0, 5, 0, 2,
674 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
675 PRIM_INT__i_s_g_s, PRIM_INT__i_s_f_s, NULL, PRIM_INT__h_s_g_s, NULL, PRIM_INT__i_s_h_s);
676
677
678 ostei_general_vrr_K(7, 0, 6, 0, 1,
679 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
680 PRIM_INT__k_s_h_s, PRIM_INT__k_s_g_s, NULL, PRIM_INT__i_s_h_s, NULL, PRIM_INT__k_s_i_s);
681
682
683 ostei_general_vrr1_I(8, 13,
684 one_over_2p, a_over_p, aop_PQ, P_PA,
685 PRIM_INT__k_s_s_s, PRIM_INT__i_s_s_s, PRIM_INT__l_s_s_s);
686
687
688 ostei_general_vrr_K(8, 0, 1, 0, 6,
689 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
690 PRIM_INT__l_s_s_s, NULL, NULL, PRIM_INT__k_s_s_s, NULL, PRIM_INT__l_s_p_s);
691
692
693 ostei_general_vrr_K(8, 0, 2, 0, 5,
694 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
695 PRIM_INT__l_s_p_s, PRIM_INT__l_s_s_s, NULL, PRIM_INT__k_s_p_s, NULL, PRIM_INT__l_s_d_s);
696
697
698 ostei_general_vrr_K(8, 0, 3, 0, 4,
699 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
700 PRIM_INT__l_s_d_s, PRIM_INT__l_s_p_s, NULL, PRIM_INT__k_s_d_s, NULL, PRIM_INT__l_s_f_s);
701
702
703 ostei_general_vrr_K(8, 0, 4, 0, 3,
704 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
705 PRIM_INT__l_s_f_s, PRIM_INT__l_s_d_s, NULL, PRIM_INT__k_s_f_s, NULL, PRIM_INT__l_s_g_s);
706
707
708 ostei_general_vrr_K(8, 0, 5, 0, 2,
709 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
710 PRIM_INT__l_s_g_s, PRIM_INT__l_s_f_s, NULL, PRIM_INT__k_s_g_s, NULL, PRIM_INT__l_s_h_s);
711
712
713 ostei_general_vrr_K(8, 0, 6, 0, 1,
714 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
715 PRIM_INT__l_s_h_s, PRIM_INT__l_s_g_s, NULL, PRIM_INT__k_s_h_s, NULL, PRIM_INT__l_s_i_s);
716
717
718 ostei_general_vrr1_I(9, 12,
719 one_over_2p, a_over_p, aop_PQ, P_PA,
720 PRIM_INT__l_s_s_s, PRIM_INT__k_s_s_s, PRIM_INT__m_s_s_s);
721
722
723 ostei_general_vrr_K(9, 0, 1, 0, 6,
724 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
725 PRIM_INT__m_s_s_s, NULL, NULL, PRIM_INT__l_s_s_s, NULL, PRIM_INT__m_s_p_s);
726
727
728 ostei_general_vrr_K(9, 0, 2, 0, 5,
729 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
730 PRIM_INT__m_s_p_s, PRIM_INT__m_s_s_s, NULL, PRIM_INT__l_s_p_s, NULL, PRIM_INT__m_s_d_s);
731
732
733 ostei_general_vrr_K(9, 0, 3, 0, 4,
734 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
735 PRIM_INT__m_s_d_s, PRIM_INT__m_s_p_s, NULL, PRIM_INT__l_s_d_s, NULL, PRIM_INT__m_s_f_s);
736
737
738 ostei_general_vrr_K(9, 0, 4, 0, 3,
739 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
740 PRIM_INT__m_s_f_s, PRIM_INT__m_s_d_s, NULL, PRIM_INT__l_s_f_s, NULL, PRIM_INT__m_s_g_s);
741
742
743 ostei_general_vrr_K(9, 0, 5, 0, 2,
744 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
745 PRIM_INT__m_s_g_s, PRIM_INT__m_s_f_s, NULL, PRIM_INT__l_s_g_s, NULL, PRIM_INT__m_s_h_s);
746
747
748 ostei_general_vrr_K(9, 0, 6, 0, 1,
749 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
750 PRIM_INT__m_s_h_s, PRIM_INT__m_s_g_s, NULL, PRIM_INT__l_s_h_s, NULL, PRIM_INT__m_s_i_s);
751
752
753 ostei_general_vrr1_I(10, 11,
754 one_over_2p, a_over_p, aop_PQ, P_PA,
755 PRIM_INT__m_s_s_s, PRIM_INT__l_s_s_s, PRIM_INT__n_s_s_s);
756
757
758 ostei_general_vrr_K(10, 0, 1, 0, 6,
759 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
760 PRIM_INT__n_s_s_s, NULL, NULL, PRIM_INT__m_s_s_s, NULL, PRIM_INT__n_s_p_s);
761
762
763 ostei_general_vrr_K(10, 0, 2, 0, 5,
764 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
765 PRIM_INT__n_s_p_s, PRIM_INT__n_s_s_s, NULL, PRIM_INT__m_s_p_s, NULL, PRIM_INT__n_s_d_s);
766
767
768 ostei_general_vrr_K(10, 0, 3, 0, 4,
769 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
770 PRIM_INT__n_s_d_s, PRIM_INT__n_s_p_s, NULL, PRIM_INT__m_s_d_s, NULL, PRIM_INT__n_s_f_s);
771
772
773 ostei_general_vrr_K(10, 0, 4, 0, 3,
774 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
775 PRIM_INT__n_s_f_s, PRIM_INT__n_s_d_s, NULL, PRIM_INT__m_s_f_s, NULL, PRIM_INT__n_s_g_s);
776
777
778 ostei_general_vrr_K(10, 0, 5, 0, 2,
779 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
780 PRIM_INT__n_s_g_s, PRIM_INT__n_s_f_s, NULL, PRIM_INT__m_s_g_s, NULL, PRIM_INT__n_s_h_s);
781
782
783 ostei_general_vrr_K(10, 0, 6, 0, 1,
784 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
785 PRIM_INT__n_s_h_s, PRIM_INT__n_s_g_s, NULL, PRIM_INT__m_s_h_s, NULL, PRIM_INT__n_s_i_s);
786
787
788 ostei_general_vrr1_I(11, 10,
789 one_over_2p, a_over_p, aop_PQ, P_PA,
790 PRIM_INT__n_s_s_s, PRIM_INT__m_s_s_s, PRIM_INT__o_s_s_s);
791
792
793 ostei_general_vrr_K(11, 0, 1, 0, 6,
794 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
795 PRIM_INT__o_s_s_s, NULL, NULL, PRIM_INT__n_s_s_s, NULL, PRIM_INT__o_s_p_s);
796
797
798 ostei_general_vrr_K(11, 0, 2, 0, 5,
799 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
800 PRIM_INT__o_s_p_s, PRIM_INT__o_s_s_s, NULL, PRIM_INT__n_s_p_s, NULL, PRIM_INT__o_s_d_s);
801
802
803 ostei_general_vrr_K(11, 0, 3, 0, 4,
804 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
805 PRIM_INT__o_s_d_s, PRIM_INT__o_s_p_s, NULL, PRIM_INT__n_s_d_s, NULL, PRIM_INT__o_s_f_s);
806
807
808 ostei_general_vrr_K(11, 0, 4, 0, 3,
809 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
810 PRIM_INT__o_s_f_s, PRIM_INT__o_s_d_s, NULL, PRIM_INT__n_s_f_s, NULL, PRIM_INT__o_s_g_s);
811
812
813 ostei_general_vrr_K(11, 0, 5, 0, 2,
814 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
815 PRIM_INT__o_s_g_s, PRIM_INT__o_s_f_s, NULL, PRIM_INT__n_s_g_s, NULL, PRIM_INT__o_s_h_s);
816
817
818 ostei_general_vrr_K(11, 0, 6, 0, 1,
819 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
820 PRIM_INT__o_s_h_s, PRIM_INT__o_s_g_s, NULL, PRIM_INT__n_s_h_s, NULL, PRIM_INT__o_s_i_s);
821
822
823 ostei_general_vrr1_I(12, 9,
824 one_over_2p, a_over_p, aop_PQ, P_PA,
825 PRIM_INT__o_s_s_s, PRIM_INT__n_s_s_s, PRIM_INT__q_s_s_s);
826
827
828 ostei_general_vrr_K(12, 0, 1, 0, 6,
829 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
830 PRIM_INT__q_s_s_s, NULL, NULL, PRIM_INT__o_s_s_s, NULL, PRIM_INT__q_s_p_s);
831
832
833 ostei_general_vrr_K(12, 0, 2, 0, 5,
834 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
835 PRIM_INT__q_s_p_s, PRIM_INT__q_s_s_s, NULL, PRIM_INT__o_s_p_s, NULL, PRIM_INT__q_s_d_s);
836
837
838 ostei_general_vrr_K(12, 0, 3, 0, 4,
839 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
840 PRIM_INT__q_s_d_s, PRIM_INT__q_s_p_s, NULL, PRIM_INT__o_s_d_s, NULL, PRIM_INT__q_s_f_s);
841
842
843 ostei_general_vrr_K(12, 0, 4, 0, 3,
844 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
845 PRIM_INT__q_s_f_s, PRIM_INT__q_s_d_s, NULL, PRIM_INT__o_s_f_s, NULL, PRIM_INT__q_s_g_s);
846
847
848 ostei_general_vrr_K(12, 0, 5, 0, 2,
849 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
850 PRIM_INT__q_s_g_s, PRIM_INT__q_s_f_s, NULL, PRIM_INT__o_s_g_s, NULL, PRIM_INT__q_s_h_s);
851
852
853 ostei_general_vrr_K(12, 0, 6, 0, 1,
854 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
855 PRIM_INT__q_s_h_s, PRIM_INT__q_s_g_s, NULL, PRIM_INT__o_s_h_s, NULL, PRIM_INT__q_s_i_s);
856
857
858 ostei_general_vrr1_I(13, 8,
859 one_over_2p, a_over_p, aop_PQ, P_PA,
860 PRIM_INT__q_s_s_s, PRIM_INT__o_s_s_s, PRIM_INT__r_s_s_s);
861
862
863 ostei_general_vrr_K(13, 0, 1, 0, 6,
864 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
865 PRIM_INT__r_s_s_s, NULL, NULL, PRIM_INT__q_s_s_s, NULL, PRIM_INT__r_s_p_s);
866
867
868 ostei_general_vrr_K(13, 0, 2, 0, 5,
869 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
870 PRIM_INT__r_s_p_s, PRIM_INT__r_s_s_s, NULL, PRIM_INT__q_s_p_s, NULL, PRIM_INT__r_s_d_s);
871
872
873 ostei_general_vrr_K(13, 0, 3, 0, 4,
874 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
875 PRIM_INT__r_s_d_s, PRIM_INT__r_s_p_s, NULL, PRIM_INT__q_s_d_s, NULL, PRIM_INT__r_s_f_s);
876
877
878 ostei_general_vrr_K(13, 0, 4, 0, 3,
879 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
880 PRIM_INT__r_s_f_s, PRIM_INT__r_s_d_s, NULL, PRIM_INT__q_s_f_s, NULL, PRIM_INT__r_s_g_s);
881
882
883 ostei_general_vrr_K(13, 0, 5, 0, 2,
884 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
885 PRIM_INT__r_s_g_s, PRIM_INT__r_s_f_s, NULL, PRIM_INT__q_s_g_s, NULL, PRIM_INT__r_s_h_s);
886
887
888 ostei_general_vrr_K(13, 0, 6, 0, 1,
889 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
890 PRIM_INT__r_s_h_s, PRIM_INT__r_s_g_s, NULL, PRIM_INT__q_s_h_s, NULL, PRIM_INT__r_s_i_s);
891
892
893 ostei_general_vrr1_I(14, 7,
894 one_over_2p, a_over_p, aop_PQ, P_PA,
895 PRIM_INT__r_s_s_s, PRIM_INT__q_s_s_s, PRIM_INT__t_s_s_s);
896
897
898 ostei_general_vrr_K(14, 0, 1, 0, 6,
899 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
900 PRIM_INT__t_s_s_s, NULL, NULL, PRIM_INT__r_s_s_s, NULL, PRIM_INT__t_s_p_s);
901
902
903 ostei_general_vrr_K(14, 0, 2, 0, 5,
904 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
905 PRIM_INT__t_s_p_s, PRIM_INT__t_s_s_s, NULL, PRIM_INT__r_s_p_s, NULL, PRIM_INT__t_s_d_s);
906
907
908 ostei_general_vrr_K(14, 0, 3, 0, 4,
909 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
910 PRIM_INT__t_s_d_s, PRIM_INT__t_s_p_s, NULL, PRIM_INT__r_s_d_s, NULL, PRIM_INT__t_s_f_s);
911
912
913 ostei_general_vrr_K(14, 0, 4, 0, 3,
914 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
915 PRIM_INT__t_s_f_s, PRIM_INT__t_s_d_s, NULL, PRIM_INT__r_s_f_s, NULL, PRIM_INT__t_s_g_s);
916
917
918 ostei_general_vrr_K(14, 0, 5, 0, 2,
919 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
920 PRIM_INT__t_s_g_s, PRIM_INT__t_s_f_s, NULL, PRIM_INT__r_s_g_s, NULL, PRIM_INT__t_s_h_s);
921
922
923 ostei_general_vrr_K(14, 0, 6, 0, 1,
924 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
925 PRIM_INT__t_s_h_s, PRIM_INT__t_s_g_s, NULL, PRIM_INT__r_s_h_s, NULL, PRIM_INT__t_s_i_s);
926
927
928
929
930 ////////////////////////////////////
931 // Accumulate contracted integrals
932 ////////////////////////////////////
933 if(lastoffset == 0)
934 {
935 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
936 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
937 contract_all(1540, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
938 contract_all(1848, PRIM_INT__n_s_i_s, PRIM_PTR_INT__n_s_i_s);
939 contract_all(2184, PRIM_INT__o_s_i_s, PRIM_PTR_INT__o_s_i_s);
940 contract_all(2548, PRIM_INT__q_s_i_s, PRIM_PTR_INT__q_s_i_s);
941 contract_all(2940, PRIM_INT__r_s_i_s, PRIM_PTR_INT__r_s_i_s);
942 contract_all(3360, PRIM_INT__t_s_i_s, PRIM_PTR_INT__t_s_i_s);
943 }
944 else
945 {
946 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
947 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
948 contract(1540, shelloffsets, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
949 contract(1848, shelloffsets, PRIM_INT__n_s_i_s, PRIM_PTR_INT__n_s_i_s);
950 contract(2184, shelloffsets, PRIM_INT__o_s_i_s, PRIM_PTR_INT__o_s_i_s);
951 contract(2548, shelloffsets, PRIM_INT__q_s_i_s, PRIM_PTR_INT__q_s_i_s);
952 contract(2940, shelloffsets, PRIM_INT__r_s_i_s, PRIM_PTR_INT__r_s_i_s);
953 contract(3360, shelloffsets, PRIM_INT__t_s_i_s, PRIM_PTR_INT__t_s_i_s);
954 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
955 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
956 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
957 PRIM_PTR_INT__n_s_i_s += lastoffset*1848;
958 PRIM_PTR_INT__o_s_i_s += lastoffset*2184;
959 PRIM_PTR_INT__q_s_i_s += lastoffset*2548;
960 PRIM_PTR_INT__r_s_i_s += lastoffset*2940;
961 PRIM_PTR_INT__t_s_i_s += lastoffset*3360;
962 }
963
964 } // close loop over j
965 } // close loop over i
966
967 //Advance to the next batch
968 jstart = SIMINT_SIMD_ROUND(jend);
969
970 //////////////////////////////////////////////
971 // Contracted integrals: Horizontal recurrance
972 //////////////////////////////////////////////
973
974
975 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
976
977
978 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
979 {
980
981 // set up HRR pointers
982 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
983 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
984 double const * restrict HRR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
985 double const * restrict HRR_INT__n_s_i_s = INT__n_s_i_s + abcd * 1848;
986 double const * restrict HRR_INT__o_s_i_s = INT__o_s_i_s + abcd * 2184;
987 double const * restrict HRR_INT__q_s_i_s = INT__q_s_i_s + abcd * 2548;
988 double const * restrict HRR_INT__r_s_i_s = INT__r_s_i_s + abcd * 2940;
989 double const * restrict HRR_INT__t_s_i_s = INT__t_s_i_s + abcd * 3360;
990 double * restrict HRR_INT__k_k_i_s = INT__k_k_i_s + real_abcd * 36288;
991
992 // form INT__k_p_i_s
993 ostei_general_hrr_J(7, 1, 6, 0, hAB, HRR_INT__l_s_i_s, HRR_INT__k_s_i_s, HRR_INT__k_p_i_s);
994
995 // form INT__l_p_i_s
996 ostei_general_hrr_J(8, 1, 6, 0, hAB, HRR_INT__m_s_i_s, HRR_INT__l_s_i_s, HRR_INT__l_p_i_s);
997
998 // form INT__m_p_i_s
999 ostei_general_hrr_J(9, 1, 6, 0, hAB, HRR_INT__n_s_i_s, HRR_INT__m_s_i_s, HRR_INT__m_p_i_s);
1000
1001 // form INT__n_p_i_s
1002 ostei_general_hrr_J(10, 1, 6, 0, hAB, HRR_INT__o_s_i_s, HRR_INT__n_s_i_s, HRR_INT__n_p_i_s);
1003
1004 // form INT__o_p_i_s
1005 ostei_general_hrr_J(11, 1, 6, 0, hAB, HRR_INT__q_s_i_s, HRR_INT__o_s_i_s, HRR_INT__o_p_i_s);
1006
1007 // form INT__q_p_i_s
1008 ostei_general_hrr_J(12, 1, 6, 0, hAB, HRR_INT__r_s_i_s, HRR_INT__q_s_i_s, HRR_INT__q_p_i_s);
1009
1010 // form INT__r_p_i_s
1011 ostei_general_hrr_J(13, 1, 6, 0, hAB, HRR_INT__t_s_i_s, HRR_INT__r_s_i_s, HRR_INT__r_p_i_s);
1012
1013 // form INT__k_d_i_s
1014 ostei_general_hrr_J(7, 2, 6, 0, hAB, HRR_INT__l_p_i_s, HRR_INT__k_p_i_s, HRR_INT__k_d_i_s);
1015
1016 // form INT__l_d_i_s
1017 ostei_general_hrr_J(8, 2, 6, 0, hAB, HRR_INT__m_p_i_s, HRR_INT__l_p_i_s, HRR_INT__l_d_i_s);
1018
1019 // form INT__m_d_i_s
1020 ostei_general_hrr_J(9, 2, 6, 0, hAB, HRR_INT__n_p_i_s, HRR_INT__m_p_i_s, HRR_INT__m_d_i_s);
1021
1022 // form INT__n_d_i_s
1023 ostei_general_hrr_J(10, 2, 6, 0, hAB, HRR_INT__o_p_i_s, HRR_INT__n_p_i_s, HRR_INT__n_d_i_s);
1024
1025 // form INT__o_d_i_s
1026 ostei_general_hrr_J(11, 2, 6, 0, hAB, HRR_INT__q_p_i_s, HRR_INT__o_p_i_s, HRR_INT__o_d_i_s);
1027
1028 // form INT__q_d_i_s
1029 ostei_general_hrr_J(12, 2, 6, 0, hAB, HRR_INT__r_p_i_s, HRR_INT__q_p_i_s, HRR_INT__q_d_i_s);
1030
1031 // form INT__k_f_i_s
1032 ostei_general_hrr_J(7, 3, 6, 0, hAB, HRR_INT__l_d_i_s, HRR_INT__k_d_i_s, HRR_INT__k_f_i_s);
1033
1034 // form INT__l_f_i_s
1035 ostei_general_hrr_J(8, 3, 6, 0, hAB, HRR_INT__m_d_i_s, HRR_INT__l_d_i_s, HRR_INT__l_f_i_s);
1036
1037 // form INT__m_f_i_s
1038 ostei_general_hrr_J(9, 3, 6, 0, hAB, HRR_INT__n_d_i_s, HRR_INT__m_d_i_s, HRR_INT__m_f_i_s);
1039
1040 // form INT__n_f_i_s
1041 ostei_general_hrr_J(10, 3, 6, 0, hAB, HRR_INT__o_d_i_s, HRR_INT__n_d_i_s, HRR_INT__n_f_i_s);
1042
1043 // form INT__o_f_i_s
1044 ostei_general_hrr_J(11, 3, 6, 0, hAB, HRR_INT__q_d_i_s, HRR_INT__o_d_i_s, HRR_INT__o_f_i_s);
1045
1046 // form INT__k_g_i_s
1047 ostei_general_hrr_J(7, 4, 6, 0, hAB, HRR_INT__l_f_i_s, HRR_INT__k_f_i_s, HRR_INT__k_g_i_s);
1048
1049 // form INT__l_g_i_s
1050 ostei_general_hrr_J(8, 4, 6, 0, hAB, HRR_INT__m_f_i_s, HRR_INT__l_f_i_s, HRR_INT__l_g_i_s);
1051
1052 // form INT__m_g_i_s
1053 ostei_general_hrr_J(9, 4, 6, 0, hAB, HRR_INT__n_f_i_s, HRR_INT__m_f_i_s, HRR_INT__m_g_i_s);
1054
1055 // form INT__n_g_i_s
1056 ostei_general_hrr_J(10, 4, 6, 0, hAB, HRR_INT__o_f_i_s, HRR_INT__n_f_i_s, HRR_INT__n_g_i_s);
1057
1058 // form INT__k_h_i_s
1059 ostei_general_hrr_J(7, 5, 6, 0, hAB, HRR_INT__l_g_i_s, HRR_INT__k_g_i_s, HRR_INT__k_h_i_s);
1060
1061 // form INT__l_h_i_s
1062 ostei_general_hrr_J(8, 5, 6, 0, hAB, HRR_INT__m_g_i_s, HRR_INT__l_g_i_s, HRR_INT__l_h_i_s);
1063
1064 // form INT__m_h_i_s
1065 ostei_general_hrr_J(9, 5, 6, 0, hAB, HRR_INT__n_g_i_s, HRR_INT__m_g_i_s, HRR_INT__m_h_i_s);
1066
1067 // form INT__k_i_i_s
1068 ostei_general_hrr_J(7, 6, 6, 0, hAB, HRR_INT__l_h_i_s, HRR_INT__k_h_i_s, HRR_INT__k_i_i_s);
1069
1070 // form INT__l_i_i_s
1071 ostei_general_hrr_J(8, 6, 6, 0, hAB, HRR_INT__m_h_i_s, HRR_INT__l_h_i_s, HRR_INT__l_i_i_s);
1072
1073 // form INT__k_k_i_s
1074 ostei_general_hrr_J(7, 7, 6, 0, hAB, HRR_INT__l_i_i_s, HRR_INT__k_i_i_s, HRR_INT__k_k_i_s);
1075
1076
1077 } // close HRR loop
1078
1079
1080 } // close loop cdbatch
1081
1082 istart = iend;
1083 } // close loop over ab
1084
1085 return P.nshell12_clip * Q.nshell12_clip;
1086 }
1087
ostei_k_k_s_i(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__k_k_s_i)1088 int ostei_k_k_s_i(struct simint_multi_shellpair const P,
1089 struct simint_multi_shellpair const Q,
1090 double screen_tol,
1091 double * const restrict work,
1092 double * const restrict INT__k_k_s_i)
1093 {
1094 double Q_AB[3*Q.nshell12];
1095 struct simint_multi_shellpair Q_tmp = Q;
1096 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1097 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1098 Q_tmp.AB_x = Q_AB;
1099 Q_tmp.AB_y = Q_AB + Q.nshell12;
1100 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1101
1102 for(int i = 0; i < Q.nshell12; i++)
1103 {
1104 Q_tmp.AB_x[i] = -Q.AB_x[i];
1105 Q_tmp.AB_y[i] = -Q.AB_y[i];
1106 Q_tmp.AB_z[i] = -Q.AB_z[i];
1107 }
1108
1109 int ret = ostei_k_k_i_s(P, Q_tmp, screen_tol, work, INT__k_k_s_i);
1110 double buffer[36288] SIMINT_ALIGN_ARRAY_DBL;
1111
1112 for(int q = 0; q < ret; q++)
1113 {
1114 int idx = 0;
1115 for(int a = 0; a < 36; ++a)
1116 for(int b = 0; b < 36; ++b)
1117 for(int c = 0; c < 1; ++c)
1118 for(int d = 0; d < 28; ++d)
1119 buffer[idx++] = INT__k_k_s_i[q*36288+a*1008+b*28+d*1+c];
1120
1121 memcpy(INT__k_k_s_i+q*36288, buffer, 36288*sizeof(double));
1122 }
1123
1124 return ret;
1125 }
1126
1127