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_p_i_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__k_p_i_h)8 int ostei_k_p_i_h(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_p_i_h)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__k_p_i_h);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26 int ibra;
27
28 // partition workspace
29 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 1008);
31 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 2304);
32 double * const INT__k_s_m_s = work + (SIMINT_NSHELL_SIMD * 3924);
33 double * const INT__k_s_n_s = work + (SIMINT_NSHELL_SIMD * 5904);
34 double * const INT__k_s_o_s = work + (SIMINT_NSHELL_SIMD * 8280);
35 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 11088);
36 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 12348);
37 double * const INT__l_s_l_s = work + (SIMINT_NSHELL_SIMD * 13968);
38 double * const INT__l_s_m_s = work + (SIMINT_NSHELL_SIMD * 15993);
39 double * const INT__l_s_n_s = work + (SIMINT_NSHELL_SIMD * 18468);
40 double * const INT__l_s_o_s = work + (SIMINT_NSHELL_SIMD * 21438);
41 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*24948);
42 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 20;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 77;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 185;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_g_s = primwork + 355;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_h_s = primwork + 595;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_i_s = primwork + 910;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_k_s = primwork + 1302;
50 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_l_s = primwork + 1770;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_m_s = primwork + 2310;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_n_s = primwork + 2915;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_o_s = primwork + 3575;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 4277;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 4301;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 4373;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 4517;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 4757;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_h_s = primwork + 5117;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_i_s = primwork + 5621;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_k_s = primwork + 6293;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_l_s = primwork + 7157;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_m_s = primwork + 8237;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_n_s = primwork + 9557;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_o_s = primwork + 11141;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 13013;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 13055;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 13181;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 13433;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 13853;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 14483;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_i_s = primwork + 15365;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_k_s = primwork + 16541;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_l_s = primwork + 18053;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_m_s = primwork + 19943;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_n_s = primwork + 22253;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_o_s = primwork + 25025;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 28301;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 28481;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 28841;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 29441;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 30341;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 31601;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_k_s = primwork + 33281;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_l_s = primwork + 35441;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_m_s = primwork + 38141;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_n_s = primwork + 41441;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_o_s = primwork + 45401;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 50081;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 50531;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 51281;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 52406;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 53981;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 56081;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_l_s = primwork + 58781;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_m_s = primwork + 62156;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_n_s = primwork + 66281;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_o_s = primwork + 71231;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 77081;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 77921;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 79181;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 80945;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 83297;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_l_s = primwork + 86321;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_m_s = primwork + 90101;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_n_s = primwork + 94721;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_o_s = primwork + 100265;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 106817;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 108077;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 109841;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 112193;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_l_s = primwork + 115217;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_m_s = primwork + 118997;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_n_s = primwork + 123617;
115 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_o_s = primwork + 129161;
116 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 135713;
117 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 137225;
118 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 139241;
119 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 141833;
120 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_m_s = primwork + 145073;
121 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_n_s = primwork + 149033;
122 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_o_s = primwork + 153785;
123 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 159401;
124 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 160661;
125 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_l_s = primwork + 162281;
126 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_m_s = primwork + 164306;
127 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_n_s = primwork + 166781;
128 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_o_s = primwork + 169751;
129 double * const hrrwork = (double *)(primwork + 173261);
130 double * const HRR_INT__k_p_i_s = hrrwork + 0;
131 double * const HRR_INT__k_p_i_p = hrrwork + 3024;
132 double * const HRR_INT__k_p_i_d = hrrwork + 12096;
133 double * const HRR_INT__k_p_i_f = hrrwork + 30240;
134 double * const HRR_INT__k_p_i_g = hrrwork + 60480;
135 double * const HRR_INT__k_p_k_s = hrrwork + 105840;
136 double * const HRR_INT__k_p_k_p = hrrwork + 109728;
137 double * const HRR_INT__k_p_k_d = hrrwork + 121392;
138 double * const HRR_INT__k_p_k_f = hrrwork + 144720;
139 double * const HRR_INT__k_p_k_g = hrrwork + 183600;
140 double * const HRR_INT__k_p_l_s = hrrwork + 241920;
141 double * const HRR_INT__k_p_l_p = hrrwork + 246780;
142 double * const HRR_INT__k_p_l_d = hrrwork + 261360;
143 double * const HRR_INT__k_p_l_f = hrrwork + 290520;
144 double * const HRR_INT__k_p_m_s = hrrwork + 339120;
145 double * const HRR_INT__k_p_m_p = hrrwork + 345060;
146 double * const HRR_INT__k_p_m_d = hrrwork + 362880;
147 double * const HRR_INT__k_p_n_s = hrrwork + 398520;
148 double * const HRR_INT__k_p_n_p = hrrwork + 405648;
149 double * const HRR_INT__k_p_o_s = hrrwork + 427032;
150
151
152 // Create constants
153 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
154 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
155 const SIMINT_DBLTYPE const_11 = SIMINT_DBLSET1(11);
156 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
157 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
158 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
159 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
160 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
161 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
162 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
163 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
164 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
165
166
167 ////////////////////////////////////////
168 // Loop over shells and primitives
169 ////////////////////////////////////////
170
171 real_abcd = 0;
172 istart = 0;
173 for(ab = 0; ab < P.nshell12_clip; ++ab)
174 {
175 const int iend = istart + P.nprim12[ab];
176
177 cd = 0;
178 jstart = 0;
179
180 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
181 {
182 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
183 int jend = jstart;
184 for(i = 0; i < nshellbatch; i++)
185 jend += Q.nprim12[cd+i];
186
187 // Clear the beginning of the workspace (where we are accumulating integrals)
188 memset(work, 0, SIMINT_NSHELL_SIMD * 24948 * sizeof(double));
189 abcd = 0;
190
191
192 for(i = istart; i < iend; ++i)
193 {
194 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
195
196 if(check_screen)
197 {
198 // Skip this whole thing if always insignificant
199 if((P.screen[i] * Q.screen_max) < screen_tol)
200 continue;
201 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
202 }
203
204 icd = 0;
205 iprimcd = 0;
206 nprim_icd = Q.nprim12[cd];
207 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
208 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
209 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
210 double * restrict PRIM_PTR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
211 double * restrict PRIM_PTR_INT__k_s_n_s = INT__k_s_n_s + abcd * 2376;
212 double * restrict PRIM_PTR_INT__k_s_o_s = INT__k_s_o_s + abcd * 2808;
213 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
214 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
215 double * restrict PRIM_PTR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
216 double * restrict PRIM_PTR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
217 double * restrict PRIM_PTR_INT__l_s_n_s = INT__l_s_n_s + abcd * 2970;
218 double * restrict PRIM_PTR_INT__l_s_o_s = INT__l_s_o_s + abcd * 3510;
219
220
221
222 // Load these one per loop over i
223 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
224 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
225 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
226
227 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
228
229 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
230 {
231 // calculate the shell offsets
232 // these are the offset from the shell pointed to by cd
233 // for each element
234 int shelloffsets[SIMINT_SIMD_LEN] = {0};
235 int lastoffset = 0;
236 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
237
238 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
239 {
240 // Handle if the first element of the vector is a new shell
241 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
242 {
243 nprim_icd += Q.nprim12[cd + (++icd)];
244 PRIM_PTR_INT__k_s_i_s += 1008;
245 PRIM_PTR_INT__k_s_k_s += 1296;
246 PRIM_PTR_INT__k_s_l_s += 1620;
247 PRIM_PTR_INT__k_s_m_s += 1980;
248 PRIM_PTR_INT__k_s_n_s += 2376;
249 PRIM_PTR_INT__k_s_o_s += 2808;
250 PRIM_PTR_INT__l_s_i_s += 1260;
251 PRIM_PTR_INT__l_s_k_s += 1620;
252 PRIM_PTR_INT__l_s_l_s += 2025;
253 PRIM_PTR_INT__l_s_m_s += 2475;
254 PRIM_PTR_INT__l_s_n_s += 2970;
255 PRIM_PTR_INT__l_s_o_s += 3510;
256 }
257 iprimcd++;
258 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
259 {
260 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
261 {
262 shelloffsets[n] = shelloffsets[n-1] + 1;
263 lastoffset++;
264 nprim_icd += Q.nprim12[cd + (++icd)];
265 }
266 else
267 shelloffsets[n] = shelloffsets[n-1];
268 iprimcd++;
269 }
270 }
271 else
272 iprimcd += SIMINT_SIMD_LEN;
273
274 // Do we have to compute this vector (or has it been screened out)?
275 // (not_screened != 0 means we have to do this vector)
276 if(check_screen)
277 {
278 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
279 if(vmax < screen_tol)
280 {
281 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
282 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
283 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
284 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
285 PRIM_PTR_INT__k_s_n_s += lastoffset*2376;
286 PRIM_PTR_INT__k_s_o_s += lastoffset*2808;
287 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
288 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
289 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
290 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
291 PRIM_PTR_INT__l_s_n_s += lastoffset*2970;
292 PRIM_PTR_INT__l_s_o_s += lastoffset*3510;
293 continue;
294 }
295 }
296
297 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
298 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
299 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
300 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
301
302
303 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
304 SIMINT_DBLTYPE PQ[3];
305 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
306 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
307 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
308 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
309 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
310 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
311
312 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
313 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
314 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
315 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
316 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
317 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
318 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
319
320 // NOTE: Minus sign!
321 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
322 SIMINT_DBLTYPE aop_PQ[3];
323 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
324 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
325 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
326
327 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
328 SIMINT_DBLTYPE aoq_PQ[3];
329 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
330 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
331 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
332 // Put a minus sign here so we don't have to in RR routines
333 a_over_q = SIMINT_NEG(a_over_q);
334
335
336 //////////////////////////////////////////////
337 // Fjt function section
338 // Maximum v value: 19
339 //////////////////////////////////////////////
340 // The parameter to the Fjt function
341 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
342
343
344 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
345
346
347 boys_F_split(PRIM_INT__s_s_s_s, F_x, 19);
348 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
349 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
350 for(n = 0; n <= 19; n++)
351 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
352
353 //////////////////////////////////////////////
354 // Primitive integrals: Vertical recurrance
355 //////////////////////////////////////////////
356
357 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
358 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
359 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
360 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
361 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
362 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
363 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
364 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
365 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
366 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
367 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
368 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
369 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
370 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
371 const SIMINT_DBLTYPE vrr_const_8_over_2q = SIMINT_MUL(const_8, one_over_2q);
372 const SIMINT_DBLTYPE vrr_const_9_over_2q = SIMINT_MUL(const_9, one_over_2q);
373 const SIMINT_DBLTYPE vrr_const_10_over_2q = SIMINT_MUL(const_10, one_over_2q);
374 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
375 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
376 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
377 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
378 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
379 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
380 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
381 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
382 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
383 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
384 const SIMINT_DBLTYPE vrr_const_11_over_2pq = SIMINT_MUL(const_11, one_over_2pq);
385
386
387
388 // Forming PRIM_INT__s_s_p_s[19 * 3];
389 for(n = 0; n < 19; ++n) // loop over orders of auxiliary function
390 {
391
392 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
393 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]);
394
395 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
396 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]);
397
398 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
399 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]);
400
401 }
402
403
404
405 // Forming PRIM_INT__s_s_d_s[18 * 6];
406 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
407 {
408
409 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
410 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]);
411 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]);
412
413 PRIM_INT__s_s_d_s[n * 6 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
414 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]);
415
416 PRIM_INT__s_s_d_s[n * 6 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
417 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]);
418
419 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
420 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]);
421 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]);
422
423 PRIM_INT__s_s_d_s[n * 6 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
424 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]);
425
426 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
427 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]);
428 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]);
429
430 }
431
432
433
434 // Forming PRIM_INT__s_s_f_s[17 * 10];
435 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
436 {
437
438 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
439 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]);
440 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]);
441
442 PRIM_INT__s_s_f_s[n * 10 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
443 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]);
444
445 PRIM_INT__s_s_f_s[n * 10 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
446 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]);
447
448 PRIM_INT__s_s_f_s[n * 10 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
449 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]);
450
451 PRIM_INT__s_s_f_s[n * 10 + 4] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
452 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]);
453
454 PRIM_INT__s_s_f_s[n * 10 + 5] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
455 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]);
456
457 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
458 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]);
459 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]);
460
461 PRIM_INT__s_s_f_s[n * 10 + 7] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
462 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]);
463
464 PRIM_INT__s_s_f_s[n * 10 + 8] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
465 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]);
466
467 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
468 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]);
469 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]);
470
471 }
472
473
474 VRR_K_s_s_g_s(
475 PRIM_INT__s_s_g_s,
476 PRIM_INT__s_s_f_s,
477 PRIM_INT__s_s_d_s,
478 Q_PA,
479 a_over_q,
480 aoq_PQ,
481 one_over_2q,
482 16);
483
484
485 VRR_K_s_s_h_s(
486 PRIM_INT__s_s_h_s,
487 PRIM_INT__s_s_g_s,
488 PRIM_INT__s_s_f_s,
489 Q_PA,
490 a_over_q,
491 aoq_PQ,
492 one_over_2q,
493 15);
494
495
496 ostei_general_vrr1_K(6, 14,
497 one_over_2q, a_over_q, aoq_PQ, Q_PA,
498 PRIM_INT__s_s_h_s, PRIM_INT__s_s_g_s, PRIM_INT__s_s_i_s);
499
500
501 ostei_general_vrr_I(1, 0, 6, 0, 8,
502 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
503 PRIM_INT__s_s_i_s, NULL, NULL, PRIM_INT__s_s_h_s, NULL, PRIM_INT__p_s_i_s);
504
505
506 ostei_general_vrr_I(1, 0, 5, 0, 8,
507 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
508 PRIM_INT__s_s_h_s, NULL, NULL, PRIM_INT__s_s_g_s, NULL, PRIM_INT__p_s_h_s);
509
510
511 ostei_general_vrr_I(2, 0, 6, 0, 7,
512 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
513 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);
514
515
516 VRR_I_p_s_g_s(
517 PRIM_INT__p_s_g_s,
518 PRIM_INT__s_s_g_s,
519 PRIM_INT__s_s_f_s,
520 P_PA,
521 aop_PQ,
522 one_over_2pq,
523 8);
524
525
526 ostei_general_vrr_I(2, 0, 5, 0, 7,
527 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
528 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);
529
530
531 ostei_general_vrr_I(3, 0, 6, 0, 6,
532 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
533 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);
534
535
536 VRR_I_p_s_f_s(
537 PRIM_INT__p_s_f_s,
538 PRIM_INT__s_s_f_s,
539 PRIM_INT__s_s_d_s,
540 P_PA,
541 aop_PQ,
542 one_over_2pq,
543 8);
544
545
546 ostei_general_vrr_I(2, 0, 4, 0, 7,
547 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
548 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);
549
550
551 ostei_general_vrr_I(3, 0, 5, 0, 6,
552 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
553 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);
554
555
556 ostei_general_vrr_I(4, 0, 6, 0, 5,
557 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
558 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);
559
560
561
562 // Forming PRIM_INT__p_s_d_s[8 * 18];
563 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
564 {
565
566 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
567 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]);
568 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]);
569
570 PRIM_INT__p_s_d_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 1]);
571 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]);
572 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]);
573
574 PRIM_INT__p_s_d_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 2]);
575 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]);
576 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]);
577
578 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 3]);
579 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]);
580
581 PRIM_INT__p_s_d_s[n * 18 + 4] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 4]);
582 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]);
583
584 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_d_s[n * 6 + 5]);
585 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]);
586
587 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 0]);
588 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]);
589
590 PRIM_INT__p_s_d_s[n * 18 + 7] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 1]);
591 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]);
592 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]);
593
594 PRIM_INT__p_s_d_s[n * 18 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 2]);
595 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]);
596
597 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
598 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]);
599 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]);
600
601 PRIM_INT__p_s_d_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 4]);
602 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]);
603 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]);
604
605 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_d_s[n * 6 + 5]);
606 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]);
607
608 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 0]);
609 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]);
610
611 PRIM_INT__p_s_d_s[n * 18 + 13] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 1]);
612 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]);
613
614 PRIM_INT__p_s_d_s[n * 18 + 14] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 2]);
615 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]);
616 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]);
617
618 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 3]);
619 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]);
620
621 PRIM_INT__p_s_d_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 4]);
622 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]);
623 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]);
624
625 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
626 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]);
627 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]);
628
629 }
630
631
632 VRR_I_d_s_f_s(
633 PRIM_INT__d_s_f_s,
634 PRIM_INT__p_s_f_s,
635 PRIM_INT__s_s_f_s,
636 PRIM_INT__p_s_d_s,
637 P_PA,
638 a_over_p,
639 aop_PQ,
640 one_over_2p,
641 one_over_2pq,
642 7);
643
644
645 ostei_general_vrr_I(3, 0, 4, 0, 6,
646 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
647 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);
648
649
650 ostei_general_vrr_I(4, 0, 5, 0, 5,
651 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
652 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);
653
654
655 ostei_general_vrr_I(5, 0, 6, 0, 4,
656 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
657 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);
658
659
660
661 // Forming PRIM_INT__p_s_p_s[8 * 9];
662 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
663 {
664
665 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
666 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]);
667 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]);
668
669 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 1]);
670 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]);
671
672 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_p_s[n * 3 + 2]);
673 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]);
674
675 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 0]);
676 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]);
677
678 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
679 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]);
680 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]);
681
682 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_p_s[n * 3 + 2]);
683 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]);
684
685 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 0]);
686 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]);
687
688 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 1]);
689 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]);
690
691 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
692 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]);
693 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]);
694
695 }
696
697
698 VRR_I_d_s_d_s(
699 PRIM_INT__d_s_d_s,
700 PRIM_INT__p_s_d_s,
701 PRIM_INT__s_s_d_s,
702 PRIM_INT__p_s_p_s,
703 P_PA,
704 a_over_p,
705 aop_PQ,
706 one_over_2p,
707 one_over_2pq,
708 7);
709
710
711 ostei_general_vrr_I(3, 0, 3, 0, 6,
712 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
713 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);
714
715
716 ostei_general_vrr_I(4, 0, 4, 0, 5,
717 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
718 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);
719
720
721 ostei_general_vrr_I(5, 0, 5, 0, 4,
722 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
723 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);
724
725
726 ostei_general_vrr_I(6, 0, 6, 0, 3,
727 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
728 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);
729
730
731
732 // Forming PRIM_INT__p_s_s_s[8 * 3];
733 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
734 {
735
736 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
737 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]);
738
739 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
740 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]);
741
742 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
743 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]);
744
745 }
746
747
748
749 // Forming PRIM_INT__d_s_p_s[7 * 18];
750 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
751 {
752
753 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
754 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]);
755 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]);
756 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]);
757
758 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 1]);
759 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]);
760 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]);
761
762 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_p_s[n * 9 + 2]);
763 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]);
764 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]);
765
766 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 3]);
767 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]);
768 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]);
769
770 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
771 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]);
772 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]);
773 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]);
774
775 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_p_s[n * 9 + 5]);
776 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]);
777 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]);
778
779 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 6]);
780 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]);
781 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]);
782
783 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 7]);
784 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]);
785 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]);
786
787 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
788 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]);
789 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]);
790 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]);
791
792 }
793
794
795 VRR_I_f_s_d_s(
796 PRIM_INT__f_s_d_s,
797 PRIM_INT__d_s_d_s,
798 PRIM_INT__p_s_d_s,
799 PRIM_INT__d_s_p_s,
800 P_PA,
801 a_over_p,
802 aop_PQ,
803 one_over_2p,
804 one_over_2pq,
805 6);
806
807
808 ostei_general_vrr_I(4, 0, 3, 0, 5,
809 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
810 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);
811
812
813 ostei_general_vrr_I(5, 0, 4, 0, 4,
814 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
815 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);
816
817
818 ostei_general_vrr_I(6, 0, 5, 0, 3,
819 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
820 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);
821
822
823 ostei_general_vrr_I(7, 0, 6, 0, 2,
824 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
825 PRIM_INT__i_s_i_s, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_h_s, NULL, PRIM_INT__k_s_i_s);
826
827
828 ostei_general_vrr1_K(7, 13,
829 one_over_2q, a_over_q, aoq_PQ, Q_PA,
830 PRIM_INT__s_s_i_s, PRIM_INT__s_s_h_s, PRIM_INT__s_s_k_s);
831
832
833 ostei_general_vrr_I(1, 0, 7, 0, 8,
834 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
835 PRIM_INT__s_s_k_s, NULL, NULL, PRIM_INT__s_s_i_s, NULL, PRIM_INT__p_s_k_s);
836
837
838 ostei_general_vrr_I(2, 0, 7, 0, 7,
839 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
840 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);
841
842
843 ostei_general_vrr_I(3, 0, 7, 0, 6,
844 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
845 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);
846
847
848 ostei_general_vrr_I(4, 0, 7, 0, 5,
849 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
850 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);
851
852
853 ostei_general_vrr_I(5, 0, 7, 0, 4,
854 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
855 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);
856
857
858 ostei_general_vrr_I(6, 0, 7, 0, 3,
859 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
860 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);
861
862
863 ostei_general_vrr_I(7, 0, 7, 0, 2,
864 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
865 PRIM_INT__i_s_k_s, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_k_s);
866
867
868
869 // Forming PRIM_INT__d_s_s_s[7 * 6];
870 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
871 {
872
873 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
874 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]);
875 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]);
876
877 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
878 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]);
879 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]);
880
881 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
882 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]);
883 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]);
884
885 }
886
887
888 VRR_I_f_s_p_s(
889 PRIM_INT__f_s_p_s,
890 PRIM_INT__d_s_p_s,
891 PRIM_INT__p_s_p_s,
892 PRIM_INT__d_s_s_s,
893 P_PA,
894 a_over_p,
895 aop_PQ,
896 one_over_2p,
897 one_over_2pq,
898 6);
899
900
901 ostei_general_vrr_I(4, 0, 2, 0, 5,
902 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
903 PRIM_INT__f_s_d_s, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_p_s, NULL, PRIM_INT__g_s_d_s);
904
905
906 ostei_general_vrr_I(5, 0, 3, 0, 4,
907 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
908 PRIM_INT__g_s_f_s, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_d_s, NULL, PRIM_INT__h_s_f_s);
909
910
911 ostei_general_vrr_I(6, 0, 4, 0, 3,
912 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
913 PRIM_INT__h_s_g_s, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_f_s, NULL, PRIM_INT__i_s_g_s);
914
915
916 ostei_general_vrr_I(7, 0, 5, 0, 2,
917 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
918 PRIM_INT__i_s_h_s, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_g_s, NULL, PRIM_INT__k_s_h_s);
919
920
921 ostei_general_vrr_I(8, 0, 6, 0, 1,
922 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
923 PRIM_INT__k_s_i_s, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_h_s, NULL, PRIM_INT__l_s_i_s);
924
925
926 ostei_general_vrr1_K(8, 12,
927 one_over_2q, a_over_q, aoq_PQ, Q_PA,
928 PRIM_INT__s_s_k_s, PRIM_INT__s_s_i_s, PRIM_INT__s_s_l_s);
929
930
931 ostei_general_vrr_I(1, 0, 8, 0, 8,
932 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
933 PRIM_INT__s_s_l_s, NULL, NULL, PRIM_INT__s_s_k_s, NULL, PRIM_INT__p_s_l_s);
934
935
936 ostei_general_vrr_I(2, 0, 8, 0, 7,
937 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
938 PRIM_INT__p_s_l_s, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_k_s, NULL, PRIM_INT__d_s_l_s);
939
940
941 ostei_general_vrr_I(3, 0, 8, 0, 6,
942 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
943 PRIM_INT__d_s_l_s, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_k_s, NULL, PRIM_INT__f_s_l_s);
944
945
946 ostei_general_vrr_I(4, 0, 8, 0, 5,
947 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
948 PRIM_INT__f_s_l_s, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_k_s, NULL, PRIM_INT__g_s_l_s);
949
950
951 ostei_general_vrr_I(5, 0, 8, 0, 4,
952 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
953 PRIM_INT__g_s_l_s, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_k_s, NULL, PRIM_INT__h_s_l_s);
954
955
956 ostei_general_vrr_I(6, 0, 8, 0, 3,
957 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
958 PRIM_INT__h_s_l_s, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_k_s, NULL, PRIM_INT__i_s_l_s);
959
960
961 ostei_general_vrr_I(7, 0, 8, 0, 2,
962 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
963 PRIM_INT__i_s_l_s, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_l_s);
964
965
966 ostei_general_vrr_I(8, 0, 7, 0, 1,
967 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
968 PRIM_INT__k_s_k_s, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_i_s, NULL, PRIM_INT__l_s_k_s);
969
970
971 ostei_general_vrr1_K(9, 11,
972 one_over_2q, a_over_q, aoq_PQ, Q_PA,
973 PRIM_INT__s_s_l_s, PRIM_INT__s_s_k_s, PRIM_INT__s_s_m_s);
974
975
976 ostei_general_vrr_I(1, 0, 9, 0, 8,
977 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
978 PRIM_INT__s_s_m_s, NULL, NULL, PRIM_INT__s_s_l_s, NULL, PRIM_INT__p_s_m_s);
979
980
981 ostei_general_vrr_I(2, 0, 9, 0, 7,
982 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
983 PRIM_INT__p_s_m_s, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_l_s, NULL, PRIM_INT__d_s_m_s);
984
985
986 ostei_general_vrr_I(3, 0, 9, 0, 6,
987 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
988 PRIM_INT__d_s_m_s, PRIM_INT__p_s_m_s, NULL, PRIM_INT__d_s_l_s, NULL, PRIM_INT__f_s_m_s);
989
990
991 ostei_general_vrr_I(4, 0, 9, 0, 5,
992 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
993 PRIM_INT__f_s_m_s, PRIM_INT__d_s_m_s, NULL, PRIM_INT__f_s_l_s, NULL, PRIM_INT__g_s_m_s);
994
995
996 ostei_general_vrr_I(5, 0, 9, 0, 4,
997 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
998 PRIM_INT__g_s_m_s, PRIM_INT__f_s_m_s, NULL, PRIM_INT__g_s_l_s, NULL, PRIM_INT__h_s_m_s);
999
1000
1001 ostei_general_vrr_I(6, 0, 9, 0, 3,
1002 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1003 PRIM_INT__h_s_m_s, PRIM_INT__g_s_m_s, NULL, PRIM_INT__h_s_l_s, NULL, PRIM_INT__i_s_m_s);
1004
1005
1006 ostei_general_vrr_I(7, 0, 9, 0, 2,
1007 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1008 PRIM_INT__i_s_m_s, PRIM_INT__h_s_m_s, NULL, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_m_s);
1009
1010
1011 ostei_general_vrr_I(8, 0, 8, 0, 1,
1012 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1013 PRIM_INT__k_s_l_s, PRIM_INT__i_s_l_s, NULL, PRIM_INT__k_s_k_s, NULL, PRIM_INT__l_s_l_s);
1014
1015
1016 ostei_general_vrr1_K(10, 10,
1017 one_over_2q, a_over_q, aoq_PQ, Q_PA,
1018 PRIM_INT__s_s_m_s, PRIM_INT__s_s_l_s, PRIM_INT__s_s_n_s);
1019
1020
1021 ostei_general_vrr_I(1, 0, 10, 0, 8,
1022 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1023 PRIM_INT__s_s_n_s, NULL, NULL, PRIM_INT__s_s_m_s, NULL, PRIM_INT__p_s_n_s);
1024
1025
1026 ostei_general_vrr_I(2, 0, 10, 0, 7,
1027 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1028 PRIM_INT__p_s_n_s, PRIM_INT__s_s_n_s, NULL, PRIM_INT__p_s_m_s, NULL, PRIM_INT__d_s_n_s);
1029
1030
1031 ostei_general_vrr_I(3, 0, 10, 0, 6,
1032 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1033 PRIM_INT__d_s_n_s, PRIM_INT__p_s_n_s, NULL, PRIM_INT__d_s_m_s, NULL, PRIM_INT__f_s_n_s);
1034
1035
1036 ostei_general_vrr_I(4, 0, 10, 0, 5,
1037 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1038 PRIM_INT__f_s_n_s, PRIM_INT__d_s_n_s, NULL, PRIM_INT__f_s_m_s, NULL, PRIM_INT__g_s_n_s);
1039
1040
1041 ostei_general_vrr_I(5, 0, 10, 0, 4,
1042 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1043 PRIM_INT__g_s_n_s, PRIM_INT__f_s_n_s, NULL, PRIM_INT__g_s_m_s, NULL, PRIM_INT__h_s_n_s);
1044
1045
1046 ostei_general_vrr_I(6, 0, 10, 0, 3,
1047 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1048 PRIM_INT__h_s_n_s, PRIM_INT__g_s_n_s, NULL, PRIM_INT__h_s_m_s, NULL, PRIM_INT__i_s_n_s);
1049
1050
1051 ostei_general_vrr_I(7, 0, 10, 0, 2,
1052 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1053 PRIM_INT__i_s_n_s, PRIM_INT__h_s_n_s, NULL, PRIM_INT__i_s_m_s, NULL, PRIM_INT__k_s_n_s);
1054
1055
1056 ostei_general_vrr_I(8, 0, 9, 0, 1,
1057 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1058 PRIM_INT__k_s_m_s, PRIM_INT__i_s_m_s, NULL, PRIM_INT__k_s_l_s, NULL, PRIM_INT__l_s_m_s);
1059
1060
1061 ostei_general_vrr1_K(11, 9,
1062 one_over_2q, a_over_q, aoq_PQ, Q_PA,
1063 PRIM_INT__s_s_n_s, PRIM_INT__s_s_m_s, PRIM_INT__s_s_o_s);
1064
1065
1066 ostei_general_vrr_I(1, 0, 11, 0, 8,
1067 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1068 PRIM_INT__s_s_o_s, NULL, NULL, PRIM_INT__s_s_n_s, NULL, PRIM_INT__p_s_o_s);
1069
1070
1071 ostei_general_vrr_I(2, 0, 11, 0, 7,
1072 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1073 PRIM_INT__p_s_o_s, PRIM_INT__s_s_o_s, NULL, PRIM_INT__p_s_n_s, NULL, PRIM_INT__d_s_o_s);
1074
1075
1076 ostei_general_vrr_I(3, 0, 11, 0, 6,
1077 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1078 PRIM_INT__d_s_o_s, PRIM_INT__p_s_o_s, NULL, PRIM_INT__d_s_n_s, NULL, PRIM_INT__f_s_o_s);
1079
1080
1081 ostei_general_vrr_I(4, 0, 11, 0, 5,
1082 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1083 PRIM_INT__f_s_o_s, PRIM_INT__d_s_o_s, NULL, PRIM_INT__f_s_n_s, NULL, PRIM_INT__g_s_o_s);
1084
1085
1086 ostei_general_vrr_I(5, 0, 11, 0, 4,
1087 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1088 PRIM_INT__g_s_o_s, PRIM_INT__f_s_o_s, NULL, PRIM_INT__g_s_n_s, NULL, PRIM_INT__h_s_o_s);
1089
1090
1091 ostei_general_vrr_I(6, 0, 11, 0, 3,
1092 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1093 PRIM_INT__h_s_o_s, PRIM_INT__g_s_o_s, NULL, PRIM_INT__h_s_n_s, NULL, PRIM_INT__i_s_o_s);
1094
1095
1096 ostei_general_vrr_I(7, 0, 11, 0, 2,
1097 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1098 PRIM_INT__i_s_o_s, PRIM_INT__h_s_o_s, NULL, PRIM_INT__i_s_n_s, NULL, PRIM_INT__k_s_o_s);
1099
1100
1101 ostei_general_vrr_I(8, 0, 10, 0, 1,
1102 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1103 PRIM_INT__k_s_n_s, PRIM_INT__i_s_n_s, NULL, PRIM_INT__k_s_m_s, NULL, PRIM_INT__l_s_n_s);
1104
1105
1106 ostei_general_vrr_I(8, 0, 11, 0, 1,
1107 one_over_2p, a_over_p, one_over_2pq, aop_PQ, P_PA,
1108 PRIM_INT__k_s_o_s, PRIM_INT__i_s_o_s, NULL, PRIM_INT__k_s_n_s, NULL, PRIM_INT__l_s_o_s);
1109
1110
1111
1112
1113 ////////////////////////////////////
1114 // Accumulate contracted integrals
1115 ////////////////////////////////////
1116 if(lastoffset == 0)
1117 {
1118 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1119 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1120 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1121 contract_all(1980, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1122 contract_all(2376, PRIM_INT__k_s_n_s, PRIM_PTR_INT__k_s_n_s);
1123 contract_all(2808, PRIM_INT__k_s_o_s, PRIM_PTR_INT__k_s_o_s);
1124 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1125 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1126 contract_all(2025, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1127 contract_all(2475, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1128 contract_all(2970, PRIM_INT__l_s_n_s, PRIM_PTR_INT__l_s_n_s);
1129 contract_all(3510, PRIM_INT__l_s_o_s, PRIM_PTR_INT__l_s_o_s);
1130 }
1131 else
1132 {
1133 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1134 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1135 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1136 contract(1980, shelloffsets, PRIM_INT__k_s_m_s, PRIM_PTR_INT__k_s_m_s);
1137 contract(2376, shelloffsets, PRIM_INT__k_s_n_s, PRIM_PTR_INT__k_s_n_s);
1138 contract(2808, shelloffsets, PRIM_INT__k_s_o_s, PRIM_PTR_INT__k_s_o_s);
1139 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1140 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1141 contract(2025, shelloffsets, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1142 contract(2475, shelloffsets, PRIM_INT__l_s_m_s, PRIM_PTR_INT__l_s_m_s);
1143 contract(2970, shelloffsets, PRIM_INT__l_s_n_s, PRIM_PTR_INT__l_s_n_s);
1144 contract(3510, shelloffsets, PRIM_INT__l_s_o_s, PRIM_PTR_INT__l_s_o_s);
1145 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
1146 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1147 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
1148 PRIM_PTR_INT__k_s_m_s += lastoffset*1980;
1149 PRIM_PTR_INT__k_s_n_s += lastoffset*2376;
1150 PRIM_PTR_INT__k_s_o_s += lastoffset*2808;
1151 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
1152 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1153 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
1154 PRIM_PTR_INT__l_s_m_s += lastoffset*2475;
1155 PRIM_PTR_INT__l_s_n_s += lastoffset*2970;
1156 PRIM_PTR_INT__l_s_o_s += lastoffset*3510;
1157 }
1158
1159 } // close loop over j
1160 } // close loop over i
1161
1162 //Advance to the next batch
1163 jstart = SIMINT_SIMD_ROUND(jend);
1164
1165 //////////////////////////////////////////////
1166 // Contracted integrals: Horizontal recurrance
1167 //////////////////////////////////////////////
1168
1169
1170 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1171
1172
1173 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1174 {
1175 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1176
1177 // set up HRR pointers
1178 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
1179 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1180 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
1181 double const * restrict HRR_INT__k_s_m_s = INT__k_s_m_s + abcd * 1980;
1182 double const * restrict HRR_INT__k_s_n_s = INT__k_s_n_s + abcd * 2376;
1183 double const * restrict HRR_INT__k_s_o_s = INT__k_s_o_s + abcd * 2808;
1184 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
1185 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1186 double const * restrict HRR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
1187 double const * restrict HRR_INT__l_s_m_s = INT__l_s_m_s + abcd * 2475;
1188 double const * restrict HRR_INT__l_s_n_s = INT__l_s_n_s + abcd * 2970;
1189 double const * restrict HRR_INT__l_s_o_s = INT__l_s_o_s + abcd * 3510;
1190 double * restrict HRR_INT__k_p_i_h = INT__k_p_i_h + real_abcd * 63504;
1191
1192 // form INT__k_p_i_s
1193 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);
1194
1195 // form INT__k_p_k_s
1196 ostei_general_hrr_J(7, 1, 7, 0, hAB, HRR_INT__l_s_k_s, HRR_INT__k_s_k_s, HRR_INT__k_p_k_s);
1197
1198 // form INT__k_p_l_s
1199 ostei_general_hrr_J(7, 1, 8, 0, hAB, HRR_INT__l_s_l_s, HRR_INT__k_s_l_s, HRR_INT__k_p_l_s);
1200
1201 // form INT__k_p_m_s
1202 ostei_general_hrr_J(7, 1, 9, 0, hAB, HRR_INT__l_s_m_s, HRR_INT__k_s_m_s, HRR_INT__k_p_m_s);
1203
1204 // form INT__k_p_n_s
1205 ostei_general_hrr_J(7, 1, 10, 0, hAB, HRR_INT__l_s_n_s, HRR_INT__k_s_n_s, HRR_INT__k_p_n_s);
1206
1207 // form INT__k_p_o_s
1208 ostei_general_hrr_J(7, 1, 11, 0, hAB, HRR_INT__l_s_o_s, HRR_INT__k_s_o_s, HRR_INT__k_p_o_s);
1209
1210 // form INT__k_p_i_p
1211 ostei_general_hrr_L(7, 1, 6, 1, hCD, HRR_INT__k_p_k_s, HRR_INT__k_p_i_s, HRR_INT__k_p_i_p);
1212
1213 // form INT__k_p_k_p
1214 ostei_general_hrr_L(7, 1, 7, 1, hCD, HRR_INT__k_p_l_s, HRR_INT__k_p_k_s, HRR_INT__k_p_k_p);
1215
1216 // form INT__k_p_l_p
1217 ostei_general_hrr_L(7, 1, 8, 1, hCD, HRR_INT__k_p_m_s, HRR_INT__k_p_l_s, HRR_INT__k_p_l_p);
1218
1219 // form INT__k_p_m_p
1220 ostei_general_hrr_L(7, 1, 9, 1, hCD, HRR_INT__k_p_n_s, HRR_INT__k_p_m_s, HRR_INT__k_p_m_p);
1221
1222 // form INT__k_p_n_p
1223 ostei_general_hrr_L(7, 1, 10, 1, hCD, HRR_INT__k_p_o_s, HRR_INT__k_p_n_s, HRR_INT__k_p_n_p);
1224
1225 // form INT__k_p_i_d
1226 ostei_general_hrr_L(7, 1, 6, 2, hCD, HRR_INT__k_p_k_p, HRR_INT__k_p_i_p, HRR_INT__k_p_i_d);
1227
1228 // form INT__k_p_k_d
1229 ostei_general_hrr_L(7, 1, 7, 2, hCD, HRR_INT__k_p_l_p, HRR_INT__k_p_k_p, HRR_INT__k_p_k_d);
1230
1231 // form INT__k_p_l_d
1232 ostei_general_hrr_L(7, 1, 8, 2, hCD, HRR_INT__k_p_m_p, HRR_INT__k_p_l_p, HRR_INT__k_p_l_d);
1233
1234 // form INT__k_p_m_d
1235 ostei_general_hrr_L(7, 1, 9, 2, hCD, HRR_INT__k_p_n_p, HRR_INT__k_p_m_p, HRR_INT__k_p_m_d);
1236
1237 // form INT__k_p_i_f
1238 ostei_general_hrr_L(7, 1, 6, 3, hCD, HRR_INT__k_p_k_d, HRR_INT__k_p_i_d, HRR_INT__k_p_i_f);
1239
1240 // form INT__k_p_k_f
1241 ostei_general_hrr_L(7, 1, 7, 3, hCD, HRR_INT__k_p_l_d, HRR_INT__k_p_k_d, HRR_INT__k_p_k_f);
1242
1243 // form INT__k_p_l_f
1244 ostei_general_hrr_L(7, 1, 8, 3, hCD, HRR_INT__k_p_m_d, HRR_INT__k_p_l_d, HRR_INT__k_p_l_f);
1245
1246 // form INT__k_p_i_g
1247 ostei_general_hrr_L(7, 1, 6, 4, hCD, HRR_INT__k_p_k_f, HRR_INT__k_p_i_f, HRR_INT__k_p_i_g);
1248
1249 // form INT__k_p_k_g
1250 ostei_general_hrr_L(7, 1, 7, 4, hCD, HRR_INT__k_p_l_f, HRR_INT__k_p_k_f, HRR_INT__k_p_k_g);
1251
1252 // form INT__k_p_i_h
1253 ostei_general_hrr_L(7, 1, 6, 5, hCD, HRR_INT__k_p_k_g, HRR_INT__k_p_i_g, HRR_INT__k_p_i_h);
1254
1255
1256 } // close HRR loop
1257
1258
1259 } // close loop cdbatch
1260
1261 istart = iend;
1262 } // close loop over ab
1263
1264 return P.nshell12_clip * Q.nshell12_clip;
1265 }
1266
ostei_p_k_i_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__p_k_i_h)1267 int ostei_p_k_i_h(struct simint_multi_shellpair const P,
1268 struct simint_multi_shellpair const Q,
1269 double screen_tol,
1270 double * const restrict work,
1271 double * const restrict INT__p_k_i_h)
1272 {
1273 double P_AB[3*P.nshell12];
1274 struct simint_multi_shellpair P_tmp = P;
1275 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1276 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1277 P_tmp.AB_x = P_AB;
1278 P_tmp.AB_y = P_AB + P.nshell12;
1279 P_tmp.AB_z = P_AB + 2*P.nshell12;
1280
1281 for(int i = 0; i < P.nshell12; i++)
1282 {
1283 P_tmp.AB_x[i] = -P.AB_x[i];
1284 P_tmp.AB_y[i] = -P.AB_y[i];
1285 P_tmp.AB_z[i] = -P.AB_z[i];
1286 }
1287
1288 int ret = ostei_k_p_i_h(P_tmp, Q, screen_tol, work, INT__p_k_i_h);
1289 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1290
1291 for(int q = 0; q < ret; q++)
1292 {
1293 int idx = 0;
1294 for(int a = 0; a < 3; ++a)
1295 for(int b = 0; b < 36; ++b)
1296 for(int c = 0; c < 28; ++c)
1297 for(int d = 0; d < 21; ++d)
1298 buffer[idx++] = INT__p_k_i_h[q*63504+b*1764+a*588+c*21+d];
1299
1300 memcpy(INT__p_k_i_h+q*63504, buffer, 63504*sizeof(double));
1301 }
1302
1303 return ret;
1304 }
1305
ostei_k_p_h_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_p_h_i)1306 int ostei_k_p_h_i(struct simint_multi_shellpair const P,
1307 struct simint_multi_shellpair const Q,
1308 double screen_tol,
1309 double * const restrict work,
1310 double * const restrict INT__k_p_h_i)
1311 {
1312 double Q_AB[3*Q.nshell12];
1313 struct simint_multi_shellpair Q_tmp = Q;
1314 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1315 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1316 Q_tmp.AB_x = Q_AB;
1317 Q_tmp.AB_y = Q_AB + Q.nshell12;
1318 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1319
1320 for(int i = 0; i < Q.nshell12; i++)
1321 {
1322 Q_tmp.AB_x[i] = -Q.AB_x[i];
1323 Q_tmp.AB_y[i] = -Q.AB_y[i];
1324 Q_tmp.AB_z[i] = -Q.AB_z[i];
1325 }
1326
1327 int ret = ostei_k_p_i_h(P, Q_tmp, screen_tol, work, INT__k_p_h_i);
1328 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1329
1330 for(int q = 0; q < ret; q++)
1331 {
1332 int idx = 0;
1333 for(int a = 0; a < 36; ++a)
1334 for(int b = 0; b < 3; ++b)
1335 for(int c = 0; c < 21; ++c)
1336 for(int d = 0; d < 28; ++d)
1337 buffer[idx++] = INT__k_p_h_i[q*63504+a*1764+b*588+d*21+c];
1338
1339 memcpy(INT__k_p_h_i+q*63504, buffer, 63504*sizeof(double));
1340 }
1341
1342 return ret;
1343 }
1344
ostei_p_k_h_i(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__p_k_h_i)1345 int ostei_p_k_h_i(struct simint_multi_shellpair const P,
1346 struct simint_multi_shellpair const Q,
1347 double screen_tol,
1348 double * const restrict work,
1349 double * const restrict INT__p_k_h_i)
1350 {
1351 double P_AB[3*P.nshell12];
1352 struct simint_multi_shellpair P_tmp = P;
1353 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1354 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1355 P_tmp.AB_x = P_AB;
1356 P_tmp.AB_y = P_AB + P.nshell12;
1357 P_tmp.AB_z = P_AB + 2*P.nshell12;
1358
1359 for(int i = 0; i < P.nshell12; i++)
1360 {
1361 P_tmp.AB_x[i] = -P.AB_x[i];
1362 P_tmp.AB_y[i] = -P.AB_y[i];
1363 P_tmp.AB_z[i] = -P.AB_z[i];
1364 }
1365
1366 double Q_AB[3*Q.nshell12];
1367 struct simint_multi_shellpair Q_tmp = Q;
1368 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1369 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1370 Q_tmp.AB_x = Q_AB;
1371 Q_tmp.AB_y = Q_AB + Q.nshell12;
1372 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1373
1374 for(int i = 0; i < Q.nshell12; i++)
1375 {
1376 Q_tmp.AB_x[i] = -Q.AB_x[i];
1377 Q_tmp.AB_y[i] = -Q.AB_y[i];
1378 Q_tmp.AB_z[i] = -Q.AB_z[i];
1379 }
1380
1381 int ret = ostei_k_p_i_h(P_tmp, Q_tmp, screen_tol, work, INT__p_k_h_i);
1382 double buffer[63504] SIMINT_ALIGN_ARRAY_DBL;
1383
1384 for(int q = 0; q < ret; q++)
1385 {
1386 int idx = 0;
1387 for(int a = 0; a < 3; ++a)
1388 for(int b = 0; b < 36; ++b)
1389 for(int c = 0; c < 21; ++c)
1390 for(int d = 0; d < 28; ++d)
1391 buffer[idx++] = INT__p_k_h_i[q*63504+b*1764+a*588+d*21+c];
1392
1393 memcpy(INT__p_k_h_i+q*63504, buffer, 63504*sizeof(double));
1394 }
1395
1396 return ret;
1397 }
1398
1399