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_g_g_g_f(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_g_g_f)8 int ostei_g_g_g_f(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__g_g_g_f)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__g_g_g_f);
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__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__g_s_h_s = work + (SIMINT_NSHELL_SIMD * 225);
31 double * const INT__g_s_i_s = work + (SIMINT_NSHELL_SIMD * 540);
32 double * const INT__g_s_k_s = work + (SIMINT_NSHELL_SIMD * 960);
33 double * const INT__h_s_g_s = work + (SIMINT_NSHELL_SIMD * 1500);
34 double * const INT__h_s_h_s = work + (SIMINT_NSHELL_SIMD * 1815);
35 double * const INT__h_s_i_s = work + (SIMINT_NSHELL_SIMD * 2256);
36 double * const INT__h_s_k_s = work + (SIMINT_NSHELL_SIMD * 2844);
37 double * const INT__i_s_g_s = work + (SIMINT_NSHELL_SIMD * 3600);
38 double * const INT__i_s_h_s = work + (SIMINT_NSHELL_SIMD * 4020);
39 double * const INT__i_s_i_s = work + (SIMINT_NSHELL_SIMD * 4608);
40 double * const INT__i_s_k_s = work + (SIMINT_NSHELL_SIMD * 5392);
41 double * const INT__k_s_g_s = work + (SIMINT_NSHELL_SIMD * 6400);
42 double * const INT__k_s_h_s = work + (SIMINT_NSHELL_SIMD * 6940);
43 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 7696);
44 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 8704);
45 double * const INT__l_s_g_s = work + (SIMINT_NSHELL_SIMD * 10000);
46 double * const INT__l_s_h_s = work + (SIMINT_NSHELL_SIMD * 10675);
47 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 11620);
48 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 12880);
49 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*14500);
50 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
51 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 16;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_d_s = primwork + 37;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_f_s = primwork + 73;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 123;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 168;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 231;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_f_s = primwork + 339;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_g_s = primwork + 489;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 669;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 753;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 879;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 1095;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_g_s = primwork + 1395;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_h_s = primwork + 1755;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 2133;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 2263;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 2473;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 2833;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 3333;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_h_s = primwork + 3933;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_i_s = primwork + 4563;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 5123;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 5303;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 5618;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 6158;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 6908;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 7808;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_i_s = primwork + 8753;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_k_s = primwork + 9593;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 10133;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 10364;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 10805;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 11561;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 12611;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 13871;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 15194;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_k_s = primwork + 16370;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 17126;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 17406;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 17994;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 19002;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 20402;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 22082;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 23846;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 25414;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_s_s = primwork + 26422;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_p_s = primwork + 26746;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_d_s = primwork + 27502;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_f_s = primwork + 28798;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 30598;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 32758;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 35026;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 37042;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_s_s = primwork + 38338;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_p_s = primwork + 38698;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_d_s = primwork + 39643;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_f_s = primwork + 41263;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_g_s = primwork + 43513;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 46213;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 49048;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 51568;
112 double * const hrrwork = (double *)(primwork + 53188);
113 double * const HRR_INT__g_p_g_s = hrrwork + 0;
114 double * const HRR_INT__g_p_h_s = hrrwork + 675;
115 double * const HRR_INT__g_p_i_s = hrrwork + 1620;
116 double * const HRR_INT__g_p_k_s = hrrwork + 2880;
117 double * const HRR_INT__g_d_g_s = hrrwork + 4500;
118 double * const HRR_INT__g_d_h_s = hrrwork + 5850;
119 double * const HRR_INT__g_d_i_s = hrrwork + 7740;
120 double * const HRR_INT__g_d_k_s = hrrwork + 10260;
121 double * const HRR_INT__g_f_g_s = hrrwork + 13500;
122 double * const HRR_INT__g_f_h_s = hrrwork + 15750;
123 double * const HRR_INT__g_f_i_s = hrrwork + 18900;
124 double * const HRR_INT__g_f_k_s = hrrwork + 23100;
125 double * const HRR_INT__g_g_g_s = hrrwork + 28500;
126 double * const HRR_INT__g_g_g_p = hrrwork + 31875;
127 double * const HRR_INT__g_g_g_d = hrrwork + 42000;
128 double * const HRR_INT__g_g_h_s = hrrwork + 62250;
129 double * const HRR_INT__g_g_h_p = hrrwork + 66975;
130 double * const HRR_INT__g_g_h_d = hrrwork + 81150;
131 double * const HRR_INT__g_g_i_s = hrrwork + 109500;
132 double * const HRR_INT__g_g_i_p = hrrwork + 115800;
133 double * const HRR_INT__g_g_k_s = hrrwork + 134700;
134 double * const HRR_INT__h_p_g_s = hrrwork + 142800;
135 double * const HRR_INT__h_p_h_s = hrrwork + 143745;
136 double * const HRR_INT__h_p_i_s = hrrwork + 145068;
137 double * const HRR_INT__h_p_k_s = hrrwork + 146832;
138 double * const HRR_INT__h_d_g_s = hrrwork + 149100;
139 double * const HRR_INT__h_d_h_s = hrrwork + 150990;
140 double * const HRR_INT__h_d_i_s = hrrwork + 153636;
141 double * const HRR_INT__h_d_k_s = hrrwork + 157164;
142 double * const HRR_INT__h_f_g_s = hrrwork + 161700;
143 double * const HRR_INT__h_f_h_s = hrrwork + 164850;
144 double * const HRR_INT__h_f_i_s = hrrwork + 169260;
145 double * const HRR_INT__h_f_k_s = hrrwork + 175140;
146 double * const HRR_INT__i_p_g_s = hrrwork + 182700;
147 double * const HRR_INT__i_p_h_s = hrrwork + 183960;
148 double * const HRR_INT__i_p_i_s = hrrwork + 185724;
149 double * const HRR_INT__i_p_k_s = hrrwork + 188076;
150 double * const HRR_INT__i_d_g_s = hrrwork + 191100;
151 double * const HRR_INT__i_d_h_s = hrrwork + 193620;
152 double * const HRR_INT__i_d_i_s = hrrwork + 197148;
153 double * const HRR_INT__i_d_k_s = hrrwork + 201852;
154 double * const HRR_INT__k_p_g_s = hrrwork + 207900;
155 double * const HRR_INT__k_p_h_s = hrrwork + 209520;
156 double * const HRR_INT__k_p_i_s = hrrwork + 211788;
157 double * const HRR_INT__k_p_k_s = hrrwork + 214812;
158
159
160 // Create constants
161 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
162 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
163 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
164 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
165 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
166 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
167 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
168 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
169 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
170
171
172 ////////////////////////////////////////
173 // Loop over shells and primitives
174 ////////////////////////////////////////
175
176 real_abcd = 0;
177 istart = 0;
178 for(ab = 0; ab < P.nshell12_clip; ++ab)
179 {
180 const int iend = istart + P.nprim12[ab];
181
182 cd = 0;
183 jstart = 0;
184
185 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
186 {
187 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
188 int jend = jstart;
189 for(i = 0; i < nshellbatch; i++)
190 jend += Q.nprim12[cd+i];
191
192 // Clear the beginning of the workspace (where we are accumulating integrals)
193 memset(work, 0, SIMINT_NSHELL_SIMD * 14500 * sizeof(double));
194 abcd = 0;
195
196
197 for(i = istart; i < iend; ++i)
198 {
199 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
200
201 if(check_screen)
202 {
203 // Skip this whole thing if always insignificant
204 if((P.screen[i] * Q.screen_max) < screen_tol)
205 continue;
206 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
207 }
208
209 icd = 0;
210 iprimcd = 0;
211 nprim_icd = Q.nprim12[cd];
212 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
213 double * restrict PRIM_PTR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
214 double * restrict PRIM_PTR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
215 double * restrict PRIM_PTR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
216 double * restrict PRIM_PTR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
217 double * restrict PRIM_PTR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
218 double * restrict PRIM_PTR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
219 double * restrict PRIM_PTR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
220 double * restrict PRIM_PTR_INT__i_s_g_s = INT__i_s_g_s + abcd * 420;
221 double * restrict PRIM_PTR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
222 double * restrict PRIM_PTR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
223 double * restrict PRIM_PTR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
224 double * restrict PRIM_PTR_INT__k_s_g_s = INT__k_s_g_s + abcd * 540;
225 double * restrict PRIM_PTR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
226 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
227 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
228 double * restrict PRIM_PTR_INT__l_s_g_s = INT__l_s_g_s + abcd * 675;
229 double * restrict PRIM_PTR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
230 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
231 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
232
233
234
235 // Load these one per loop over i
236 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
237 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
238 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
239
240 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
241
242 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
243 {
244 // calculate the shell offsets
245 // these are the offset from the shell pointed to by cd
246 // for each element
247 int shelloffsets[SIMINT_SIMD_LEN] = {0};
248 int lastoffset = 0;
249 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
250
251 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
252 {
253 // Handle if the first element of the vector is a new shell
254 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
255 {
256 nprim_icd += Q.nprim12[cd + (++icd)];
257 PRIM_PTR_INT__g_s_g_s += 225;
258 PRIM_PTR_INT__g_s_h_s += 315;
259 PRIM_PTR_INT__g_s_i_s += 420;
260 PRIM_PTR_INT__g_s_k_s += 540;
261 PRIM_PTR_INT__h_s_g_s += 315;
262 PRIM_PTR_INT__h_s_h_s += 441;
263 PRIM_PTR_INT__h_s_i_s += 588;
264 PRIM_PTR_INT__h_s_k_s += 756;
265 PRIM_PTR_INT__i_s_g_s += 420;
266 PRIM_PTR_INT__i_s_h_s += 588;
267 PRIM_PTR_INT__i_s_i_s += 784;
268 PRIM_PTR_INT__i_s_k_s += 1008;
269 PRIM_PTR_INT__k_s_g_s += 540;
270 PRIM_PTR_INT__k_s_h_s += 756;
271 PRIM_PTR_INT__k_s_i_s += 1008;
272 PRIM_PTR_INT__k_s_k_s += 1296;
273 PRIM_PTR_INT__l_s_g_s += 675;
274 PRIM_PTR_INT__l_s_h_s += 945;
275 PRIM_PTR_INT__l_s_i_s += 1260;
276 PRIM_PTR_INT__l_s_k_s += 1620;
277 }
278 iprimcd++;
279 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
280 {
281 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
282 {
283 shelloffsets[n] = shelloffsets[n-1] + 1;
284 lastoffset++;
285 nprim_icd += Q.nprim12[cd + (++icd)];
286 }
287 else
288 shelloffsets[n] = shelloffsets[n-1];
289 iprimcd++;
290 }
291 }
292 else
293 iprimcd += SIMINT_SIMD_LEN;
294
295 // Do we have to compute this vector (or has it been screened out)?
296 // (not_screened != 0 means we have to do this vector)
297 if(check_screen)
298 {
299 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
300 if(vmax < screen_tol)
301 {
302 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
303 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
304 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
305 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
306 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
307 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
308 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
309 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
310 PRIM_PTR_INT__i_s_g_s += lastoffset*420;
311 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
312 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
313 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
314 PRIM_PTR_INT__k_s_g_s += lastoffset*540;
315 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
316 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
317 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
318 PRIM_PTR_INT__l_s_g_s += lastoffset*675;
319 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
320 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
321 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
322 continue;
323 }
324 }
325
326 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
327 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
328 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
329 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
330
331
332 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
333 SIMINT_DBLTYPE PQ[3];
334 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
335 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
336 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
337 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
338 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
339 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
340
341 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
342 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
343 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
344 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
345 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
346 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
347 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
348
349 // NOTE: Minus sign!
350 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
351 SIMINT_DBLTYPE aop_PQ[3];
352 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
353 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
354 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
355
356 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
357 SIMINT_DBLTYPE aoq_PQ[3];
358 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
359 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
360 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
361 // Put a minus sign here so we don't have to in RR routines
362 a_over_q = SIMINT_NEG(a_over_q);
363
364
365 //////////////////////////////////////////////
366 // Fjt function section
367 // Maximum v value: 15
368 //////////////////////////////////////////////
369 // The parameter to the Fjt function
370 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
371
372
373 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
374
375
376 boys_F_split(PRIM_INT__s_s_s_s, F_x, 15);
377 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
378 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
379 for(n = 0; n <= 15; n++)
380 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
381
382 //////////////////////////////////////////////
383 // Primitive integrals: Vertical recurrance
384 //////////////////////////////////////////////
385
386 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
387 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
388 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
389 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
390 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
391 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
392 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
393 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
394 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
395 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
396 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
397 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
398 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
399 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
400 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
401 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
402 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
403 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
404 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
405 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
406 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
407
408
409
410 // Forming PRIM_INT__p_s_s_s[15 * 3];
411 for(n = 0; n < 15; ++n) // loop over orders of auxiliary function
412 {
413
414 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
415 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]);
416
417 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
418 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]);
419
420 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
421 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]);
422
423 }
424
425
426
427 // Forming PRIM_INT__d_s_s_s[14 * 6];
428 for(n = 0; n < 14; ++n) // loop over orders of auxiliary function
429 {
430
431 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
432 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]);
433 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]);
434
435 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
436 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]);
437
438 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
439 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]);
440
441 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
442 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]);
443 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]);
444
445 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
446 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]);
447
448 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
449 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]);
450 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]);
451
452 }
453
454
455
456 // Forming PRIM_INT__f_s_s_s[13 * 10];
457 for(n = 0; n < 13; ++n) // loop over orders of auxiliary function
458 {
459
460 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
461 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]);
462 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]);
463
464 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
465 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]);
466
467 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
468 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]);
469
470 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
471 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]);
472
473 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
474 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]);
475
476 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
477 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]);
478
479 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
480 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]);
481 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]);
482
483 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
484 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]);
485
486 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
487 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]);
488
489 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
490 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]);
491 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]);
492
493 }
494
495
496 VRR_I_g_s_s_s(
497 PRIM_INT__g_s_s_s,
498 PRIM_INT__f_s_s_s,
499 PRIM_INT__d_s_s_s,
500 P_PA,
501 a_over_p,
502 aop_PQ,
503 one_over_2p,
504 12);
505
506
507 VRR_K_g_s_p_s(
508 PRIM_INT__g_s_p_s,
509 PRIM_INT__g_s_s_s,
510 PRIM_INT__f_s_s_s,
511 Q_PA,
512 aoq_PQ,
513 one_over_2pq,
514 7);
515
516
517 VRR_K_f_s_p_s(
518 PRIM_INT__f_s_p_s,
519 PRIM_INT__f_s_s_s,
520 PRIM_INT__d_s_s_s,
521 Q_PA,
522 aoq_PQ,
523 one_over_2pq,
524 7);
525
526
527 ostei_general_vrr_K(4, 0, 2, 0, 6,
528 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
529 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);
530
531
532
533 // Forming PRIM_INT__d_s_p_s[7 * 18];
534 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
535 {
536
537 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
538 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]);
539 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]);
540
541 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
542 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]);
543
544 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
545 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]);
546
547 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
548 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]);
549 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]);
550
551 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
552 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]);
553 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]);
554
555 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
556 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]);
557
558 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
559 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]);
560 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]);
561
562 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
563 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]);
564
565 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
566 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]);
567 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]);
568
569 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
570 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]);
571
572 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
573 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]);
574 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]);
575
576 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
577 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]);
578
579 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
580 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]);
581
582 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
583 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]);
584 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]);
585
586 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
587 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]);
588 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]);
589
590 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
591 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]);
592
593 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
594 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]);
595
596 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
597 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]);
598 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]);
599
600 }
601
602
603 VRR_K_f_s_d_s(
604 PRIM_INT__f_s_d_s,
605 PRIM_INT__f_s_p_s,
606 PRIM_INT__f_s_s_s,
607 PRIM_INT__d_s_p_s,
608 Q_PA,
609 a_over_q,
610 aoq_PQ,
611 one_over_2pq,
612 one_over_2q,
613 6);
614
615
616 ostei_general_vrr_K(4, 0, 3, 0, 5,
617 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
618 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);
619
620
621
622 // Forming PRIM_INT__p_s_p_s[7 * 9];
623 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
624 {
625
626 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
627 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 0]);
628 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]);
629
630 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
631 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 1]);
632
633 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
634 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_p_s[n * 9 + 2]);
635
636 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
637 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 3]);
638
639 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
640 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 4]);
641 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]);
642
643 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
644 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_p_s[n * 9 + 5]);
645
646 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
647 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 6]);
648
649 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
650 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 7]);
651
652 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
653 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_p_s[n * 9 + 8]);
654 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]);
655
656 }
657
658
659 VRR_K_d_s_d_s(
660 PRIM_INT__d_s_d_s,
661 PRIM_INT__d_s_p_s,
662 PRIM_INT__d_s_s_s,
663 PRIM_INT__p_s_p_s,
664 Q_PA,
665 a_over_q,
666 aoq_PQ,
667 one_over_2pq,
668 one_over_2q,
669 6);
670
671
672 ostei_general_vrr_K(3, 0, 3, 0, 5,
673 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
674 PRIM_INT__f_s_d_s, PRIM_INT__f_s_p_s, NULL, PRIM_INT__d_s_d_s, NULL, PRIM_INT__f_s_f_s);
675
676
677 ostei_general_vrr_K(4, 0, 4, 0, 4,
678 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
679 PRIM_INT__g_s_f_s, PRIM_INT__g_s_d_s, NULL, PRIM_INT__f_s_f_s, NULL, PRIM_INT__g_s_g_s);
680
681
682
683 // Forming PRIM_INT__s_s_p_s[7 * 3];
684 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
685 {
686
687 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
688 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]);
689
690 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
691 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]);
692
693 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
694 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]);
695
696 }
697
698
699
700 // Forming PRIM_INT__p_s_d_s[6 * 18];
701 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
702 {
703
704 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
705 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
706 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 0]);
707 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 0], PRIM_INT__p_s_d_s[n * 18 + 0]);
708
709 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
710 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 1], PRIM_INT__p_s_d_s[n * 18 + 3]);
711 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 3]);
712
713 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
714 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 2], PRIM_INT__p_s_d_s[n * 18 + 5]);
715 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 0], PRIM_INT__p_s_s_s[n * 3 + 0]), PRIM_INT__p_s_d_s[n * 18 + 5]);
716
717 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
718 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 3], PRIM_INT__p_s_d_s[n * 18 + 6]);
719 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 6]);
720
721 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
722 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 4], PRIM_INT__p_s_d_s[n * 18 + 9]);
723 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 9]);
724 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 1], PRIM_INT__p_s_d_s[n * 18 + 9]);
725
726 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
727 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 5], PRIM_INT__p_s_d_s[n * 18 + 11]);
728 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 1], PRIM_INT__p_s_s_s[n * 3 + 1]), PRIM_INT__p_s_d_s[n * 18 + 11]);
729
730 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
731 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( aoq_PQ[0], PRIM_INT__p_s_p_s[(n+1) * 9 + 6], PRIM_INT__p_s_d_s[n * 18 + 12]);
732 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 12]);
733
734 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
735 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( aoq_PQ[1], PRIM_INT__p_s_p_s[(n+1) * 9 + 7], PRIM_INT__p_s_d_s[n * 18 + 15]);
736 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 15]);
737
738 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
739 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( aoq_PQ[2], PRIM_INT__p_s_p_s[(n+1) * 9 + 8], PRIM_INT__p_s_d_s[n * 18 + 17]);
740 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2q, SIMINT_FMADD(a_over_q, PRIM_INT__p_s_s_s[(n+1) * 3 + 2], PRIM_INT__p_s_s_s[n * 3 + 2]), PRIM_INT__p_s_d_s[n * 18 + 17]);
741 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_FMADD( vrr_const_1_over_2pq, PRIM_INT__s_s_p_s[(n+1) * 3 + 2], PRIM_INT__p_s_d_s[n * 18 + 17]);
742
743 }
744
745
746 VRR_K_d_s_f_s(
747 PRIM_INT__d_s_f_s,
748 PRIM_INT__d_s_d_s,
749 PRIM_INT__d_s_p_s,
750 PRIM_INT__p_s_d_s,
751 Q_PA,
752 a_over_q,
753 aoq_PQ,
754 one_over_2pq,
755 one_over_2q,
756 5);
757
758
759 ostei_general_vrr_K(3, 0, 4, 0, 4,
760 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
761 PRIM_INT__f_s_f_s, PRIM_INT__f_s_d_s, NULL, PRIM_INT__d_s_f_s, NULL, PRIM_INT__f_s_g_s);
762
763
764 ostei_general_vrr_K(4, 0, 5, 0, 3,
765 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
766 PRIM_INT__g_s_g_s, PRIM_INT__g_s_f_s, NULL, PRIM_INT__f_s_g_s, NULL, PRIM_INT__g_s_h_s);
767
768
769 VRR_I_h_s_s_s(
770 PRIM_INT__h_s_s_s,
771 PRIM_INT__g_s_s_s,
772 PRIM_INT__f_s_s_s,
773 P_PA,
774 a_over_p,
775 aop_PQ,
776 one_over_2p,
777 11);
778
779
780 ostei_general_vrr_K(5, 0, 1, 0, 7,
781 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
782 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
783
784
785 ostei_general_vrr_K(5, 0, 2, 0, 6,
786 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
787 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);
788
789
790 ostei_general_vrr_K(5, 0, 3, 0, 5,
791 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
792 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);
793
794
795 ostei_general_vrr_K(5, 0, 4, 0, 4,
796 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
797 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);
798
799
800
801 // Forming PRIM_INT__s_s_d_s[6 * 6];
802 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
803 {
804
805 PRIM_INT__s_s_d_s[n * 6 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_p_s[n * 3 + 0]);
806 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]);
807 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]);
808
809 PRIM_INT__s_s_d_s[n * 6 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_p_s[n * 3 + 1]);
810 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]);
811 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]);
812
813 PRIM_INT__s_s_d_s[n * 6 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_p_s[n * 3 + 2]);
814 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]);
815 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]);
816
817 }
818
819
820 VRR_K_p_s_f_s(
821 PRIM_INT__p_s_f_s,
822 PRIM_INT__p_s_d_s,
823 PRIM_INT__p_s_p_s,
824 PRIM_INT__s_s_d_s,
825 Q_PA,
826 a_over_q,
827 aoq_PQ,
828 one_over_2pq,
829 one_over_2q,
830 5);
831
832
833 ostei_general_vrr_K(2, 0, 4, 0, 4,
834 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
835 PRIM_INT__d_s_f_s, PRIM_INT__d_s_d_s, NULL, PRIM_INT__p_s_f_s, NULL, PRIM_INT__d_s_g_s);
836
837
838 ostei_general_vrr_K(3, 0, 5, 0, 3,
839 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
840 PRIM_INT__f_s_g_s, PRIM_INT__f_s_f_s, NULL, PRIM_INT__d_s_g_s, NULL, PRIM_INT__f_s_h_s);
841
842
843 ostei_general_vrr_K(4, 0, 6, 0, 2,
844 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
845 PRIM_INT__g_s_h_s, PRIM_INT__g_s_g_s, NULL, PRIM_INT__f_s_h_s, NULL, PRIM_INT__g_s_i_s);
846
847
848 ostei_general_vrr_K(5, 0, 5, 0, 3,
849 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
850 PRIM_INT__h_s_g_s, PRIM_INT__h_s_f_s, NULL, PRIM_INT__g_s_g_s, NULL, PRIM_INT__h_s_h_s);
851
852
853 ostei_general_vrr1_I(6, 10,
854 one_over_2p, a_over_p, aop_PQ, P_PA,
855 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
856
857
858 ostei_general_vrr_K(6, 0, 1, 0, 7,
859 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
860 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
861
862
863 ostei_general_vrr_K(6, 0, 2, 0, 6,
864 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
865 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);
866
867
868 ostei_general_vrr_K(6, 0, 3, 0, 5,
869 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
870 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);
871
872
873 ostei_general_vrr_K(6, 0, 4, 0, 4,
874 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
875 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);
876
877
878
879 // Forming PRIM_INT__s_s_f_s[5 * 10];
880 for(n = 0; n < 5; ++n) // loop over orders of auxiliary function
881 {
882
883 PRIM_INT__s_s_f_s[n * 10 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_d_s[n * 6 + 0]);
884 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]);
885 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]);
886
887 PRIM_INT__s_s_f_s[n * 10 + 6] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_d_s[n * 6 + 3]);
888 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]);
889 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]);
890
891 PRIM_INT__s_s_f_s[n * 10 + 9] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_d_s[n * 6 + 5]);
892 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]);
893 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]);
894
895 }
896
897
898 VRR_K_p_s_g_s(
899 PRIM_INT__p_s_g_s,
900 PRIM_INT__p_s_f_s,
901 PRIM_INT__p_s_d_s,
902 PRIM_INT__s_s_f_s,
903 Q_PA,
904 a_over_q,
905 aoq_PQ,
906 one_over_2pq,
907 one_over_2q,
908 4);
909
910
911 ostei_general_vrr_K(2, 0, 5, 0, 3,
912 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
913 PRIM_INT__d_s_g_s, PRIM_INT__d_s_f_s, NULL, PRIM_INT__p_s_g_s, NULL, PRIM_INT__d_s_h_s);
914
915
916 ostei_general_vrr_K(3, 0, 6, 0, 2,
917 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
918 PRIM_INT__f_s_h_s, PRIM_INT__f_s_g_s, NULL, PRIM_INT__d_s_h_s, NULL, PRIM_INT__f_s_i_s);
919
920
921 ostei_general_vrr_K(4, 0, 7, 0, 1,
922 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
923 PRIM_INT__g_s_i_s, PRIM_INT__g_s_h_s, NULL, PRIM_INT__f_s_i_s, NULL, PRIM_INT__g_s_k_s);
924
925
926 ostei_general_vrr_K(5, 0, 6, 0, 2,
927 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
928 PRIM_INT__h_s_h_s, PRIM_INT__h_s_g_s, NULL, PRIM_INT__g_s_h_s, NULL, PRIM_INT__h_s_i_s);
929
930
931 ostei_general_vrr_K(6, 0, 5, 0, 3,
932 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
933 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);
934
935
936 ostei_general_vrr1_I(7, 9,
937 one_over_2p, a_over_p, aop_PQ, P_PA,
938 PRIM_INT__i_s_s_s, PRIM_INT__h_s_s_s, PRIM_INT__k_s_s_s);
939
940
941 ostei_general_vrr_K(7, 0, 1, 0, 7,
942 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
943 PRIM_INT__k_s_s_s, NULL, NULL, PRIM_INT__i_s_s_s, NULL, PRIM_INT__k_s_p_s);
944
945
946 ostei_general_vrr_K(7, 0, 2, 0, 6,
947 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
948 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);
949
950
951 ostei_general_vrr_K(7, 0, 3, 0, 5,
952 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
953 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);
954
955
956 ostei_general_vrr_K(7, 0, 4, 0, 4,
957 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
958 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);
959
960
961 ostei_general_vrr_K(5, 0, 7, 0, 1,
962 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
963 PRIM_INT__h_s_i_s, PRIM_INT__h_s_h_s, NULL, PRIM_INT__g_s_i_s, NULL, PRIM_INT__h_s_k_s);
964
965
966 ostei_general_vrr_K(6, 0, 6, 0, 2,
967 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
968 PRIM_INT__i_s_h_s, PRIM_INT__i_s_g_s, NULL, PRIM_INT__h_s_h_s, NULL, PRIM_INT__i_s_i_s);
969
970
971 ostei_general_vrr_K(7, 0, 5, 0, 3,
972 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
973 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);
974
975
976 ostei_general_vrr1_I(8, 8,
977 one_over_2p, a_over_p, aop_PQ, P_PA,
978 PRIM_INT__k_s_s_s, PRIM_INT__i_s_s_s, PRIM_INT__l_s_s_s);
979
980
981 ostei_general_vrr_K(8, 0, 1, 0, 7,
982 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
983 PRIM_INT__l_s_s_s, NULL, NULL, PRIM_INT__k_s_s_s, NULL, PRIM_INT__l_s_p_s);
984
985
986 ostei_general_vrr_K(8, 0, 2, 0, 6,
987 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
988 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);
989
990
991 ostei_general_vrr_K(8, 0, 3, 0, 5,
992 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
993 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);
994
995
996 ostei_general_vrr_K(8, 0, 4, 0, 4,
997 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
998 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);
999
1000
1001 ostei_general_vrr_K(6, 0, 7, 0, 1,
1002 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1003 PRIM_INT__i_s_i_s, PRIM_INT__i_s_h_s, NULL, PRIM_INT__h_s_i_s, NULL, PRIM_INT__i_s_k_s);
1004
1005
1006 ostei_general_vrr_K(7, 0, 6, 0, 2,
1007 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1008 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);
1009
1010
1011 ostei_general_vrr_K(8, 0, 5, 0, 3,
1012 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1013 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);
1014
1015
1016 ostei_general_vrr_K(7, 0, 7, 0, 1,
1017 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1018 PRIM_INT__k_s_i_s, PRIM_INT__k_s_h_s, NULL, PRIM_INT__i_s_i_s, NULL, PRIM_INT__k_s_k_s);
1019
1020
1021 ostei_general_vrr_K(8, 0, 6, 0, 2,
1022 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1023 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);
1024
1025
1026 ostei_general_vrr_K(8, 0, 7, 0, 1,
1027 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1028 PRIM_INT__l_s_i_s, PRIM_INT__l_s_h_s, NULL, PRIM_INT__k_s_i_s, NULL, PRIM_INT__l_s_k_s);
1029
1030
1031
1032
1033 ////////////////////////////////////
1034 // Accumulate contracted integrals
1035 ////////////////////////////////////
1036 if(lastoffset == 0)
1037 {
1038 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
1039 contract_all(315, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
1040 contract_all(420, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
1041 contract_all(540, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
1042 contract_all(315, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
1043 contract_all(441, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
1044 contract_all(588, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
1045 contract_all(756, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
1046 contract_all(420, PRIM_INT__i_s_g_s, PRIM_PTR_INT__i_s_g_s);
1047 contract_all(588, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
1048 contract_all(784, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
1049 contract_all(1008, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1050 contract_all(540, PRIM_INT__k_s_g_s, PRIM_PTR_INT__k_s_g_s);
1051 contract_all(756, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1052 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1053 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1054 contract_all(675, PRIM_INT__l_s_g_s, PRIM_PTR_INT__l_s_g_s);
1055 contract_all(945, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1056 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1057 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1058 }
1059 else
1060 {
1061 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
1062 contract(315, shelloffsets, PRIM_INT__g_s_h_s, PRIM_PTR_INT__g_s_h_s);
1063 contract(420, shelloffsets, PRIM_INT__g_s_i_s, PRIM_PTR_INT__g_s_i_s);
1064 contract(540, shelloffsets, PRIM_INT__g_s_k_s, PRIM_PTR_INT__g_s_k_s);
1065 contract(315, shelloffsets, PRIM_INT__h_s_g_s, PRIM_PTR_INT__h_s_g_s);
1066 contract(441, shelloffsets, PRIM_INT__h_s_h_s, PRIM_PTR_INT__h_s_h_s);
1067 contract(588, shelloffsets, PRIM_INT__h_s_i_s, PRIM_PTR_INT__h_s_i_s);
1068 contract(756, shelloffsets, PRIM_INT__h_s_k_s, PRIM_PTR_INT__h_s_k_s);
1069 contract(420, shelloffsets, PRIM_INT__i_s_g_s, PRIM_PTR_INT__i_s_g_s);
1070 contract(588, shelloffsets, PRIM_INT__i_s_h_s, PRIM_PTR_INT__i_s_h_s);
1071 contract(784, shelloffsets, PRIM_INT__i_s_i_s, PRIM_PTR_INT__i_s_i_s);
1072 contract(1008, shelloffsets, PRIM_INT__i_s_k_s, PRIM_PTR_INT__i_s_k_s);
1073 contract(540, shelloffsets, PRIM_INT__k_s_g_s, PRIM_PTR_INT__k_s_g_s);
1074 contract(756, shelloffsets, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1075 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1076 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1077 contract(675, shelloffsets, PRIM_INT__l_s_g_s, PRIM_PTR_INT__l_s_g_s);
1078 contract(945, shelloffsets, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1079 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1080 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1081 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
1082 PRIM_PTR_INT__g_s_h_s += lastoffset*315;
1083 PRIM_PTR_INT__g_s_i_s += lastoffset*420;
1084 PRIM_PTR_INT__g_s_k_s += lastoffset*540;
1085 PRIM_PTR_INT__h_s_g_s += lastoffset*315;
1086 PRIM_PTR_INT__h_s_h_s += lastoffset*441;
1087 PRIM_PTR_INT__h_s_i_s += lastoffset*588;
1088 PRIM_PTR_INT__h_s_k_s += lastoffset*756;
1089 PRIM_PTR_INT__i_s_g_s += lastoffset*420;
1090 PRIM_PTR_INT__i_s_h_s += lastoffset*588;
1091 PRIM_PTR_INT__i_s_i_s += lastoffset*784;
1092 PRIM_PTR_INT__i_s_k_s += lastoffset*1008;
1093 PRIM_PTR_INT__k_s_g_s += lastoffset*540;
1094 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
1095 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
1096 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1097 PRIM_PTR_INT__l_s_g_s += lastoffset*675;
1098 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
1099 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
1100 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1101 }
1102
1103 } // close loop over j
1104 } // close loop over i
1105
1106 //Advance to the next batch
1107 jstart = SIMINT_SIMD_ROUND(jend);
1108
1109 //////////////////////////////////////////////
1110 // Contracted integrals: Horizontal recurrance
1111 //////////////////////////////////////////////
1112
1113
1114 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1115
1116
1117 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1118 {
1119 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1120
1121 // set up HRR pointers
1122 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
1123 double const * restrict HRR_INT__g_s_h_s = INT__g_s_h_s + abcd * 315;
1124 double const * restrict HRR_INT__g_s_i_s = INT__g_s_i_s + abcd * 420;
1125 double const * restrict HRR_INT__g_s_k_s = INT__g_s_k_s + abcd * 540;
1126 double const * restrict HRR_INT__h_s_g_s = INT__h_s_g_s + abcd * 315;
1127 double const * restrict HRR_INT__h_s_h_s = INT__h_s_h_s + abcd * 441;
1128 double const * restrict HRR_INT__h_s_i_s = INT__h_s_i_s + abcd * 588;
1129 double const * restrict HRR_INT__h_s_k_s = INT__h_s_k_s + abcd * 756;
1130 double const * restrict HRR_INT__i_s_g_s = INT__i_s_g_s + abcd * 420;
1131 double const * restrict HRR_INT__i_s_h_s = INT__i_s_h_s + abcd * 588;
1132 double const * restrict HRR_INT__i_s_i_s = INT__i_s_i_s + abcd * 784;
1133 double const * restrict HRR_INT__i_s_k_s = INT__i_s_k_s + abcd * 1008;
1134 double const * restrict HRR_INT__k_s_g_s = INT__k_s_g_s + abcd * 540;
1135 double const * restrict HRR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
1136 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
1137 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1138 double const * restrict HRR_INT__l_s_g_s = INT__l_s_g_s + abcd * 675;
1139 double const * restrict HRR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
1140 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
1141 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1142 double * restrict HRR_INT__g_g_g_f = INT__g_g_g_f + real_abcd * 33750;
1143
1144 // form INT__g_p_g_s
1145 HRR_J_g_p(
1146 HRR_INT__g_p_g_s,
1147 HRR_INT__g_s_g_s,
1148 HRR_INT__h_s_g_s,
1149 hAB, 15);
1150
1151 // form INT__g_p_h_s
1152 HRR_J_g_p(
1153 HRR_INT__g_p_h_s,
1154 HRR_INT__g_s_h_s,
1155 HRR_INT__h_s_h_s,
1156 hAB, 21);
1157
1158 // form INT__g_p_i_s
1159 HRR_J_g_p(
1160 HRR_INT__g_p_i_s,
1161 HRR_INT__g_s_i_s,
1162 HRR_INT__h_s_i_s,
1163 hAB, 28);
1164
1165 // form INT__g_p_k_s
1166 HRR_J_g_p(
1167 HRR_INT__g_p_k_s,
1168 HRR_INT__g_s_k_s,
1169 HRR_INT__h_s_k_s,
1170 hAB, 36);
1171
1172 // form INT__h_p_g_s
1173 ostei_general_hrr_J(5, 1, 4, 0, hAB, HRR_INT__i_s_g_s, HRR_INT__h_s_g_s, HRR_INT__h_p_g_s);
1174
1175 // form INT__h_p_h_s
1176 ostei_general_hrr_J(5, 1, 5, 0, hAB, HRR_INT__i_s_h_s, HRR_INT__h_s_h_s, HRR_INT__h_p_h_s);
1177
1178 // form INT__h_p_i_s
1179 ostei_general_hrr_J(5, 1, 6, 0, hAB, HRR_INT__i_s_i_s, HRR_INT__h_s_i_s, HRR_INT__h_p_i_s);
1180
1181 // form INT__h_p_k_s
1182 ostei_general_hrr_J(5, 1, 7, 0, hAB, HRR_INT__i_s_k_s, HRR_INT__h_s_k_s, HRR_INT__h_p_k_s);
1183
1184 // form INT__i_p_g_s
1185 ostei_general_hrr_J(6, 1, 4, 0, hAB, HRR_INT__k_s_g_s, HRR_INT__i_s_g_s, HRR_INT__i_p_g_s);
1186
1187 // form INT__i_p_h_s
1188 ostei_general_hrr_J(6, 1, 5, 0, hAB, HRR_INT__k_s_h_s, HRR_INT__i_s_h_s, HRR_INT__i_p_h_s);
1189
1190 // form INT__i_p_i_s
1191 ostei_general_hrr_J(6, 1, 6, 0, hAB, HRR_INT__k_s_i_s, HRR_INT__i_s_i_s, HRR_INT__i_p_i_s);
1192
1193 // form INT__i_p_k_s
1194 ostei_general_hrr_J(6, 1, 7, 0, hAB, HRR_INT__k_s_k_s, HRR_INT__i_s_k_s, HRR_INT__i_p_k_s);
1195
1196 // form INT__k_p_g_s
1197 ostei_general_hrr_J(7, 1, 4, 0, hAB, HRR_INT__l_s_g_s, HRR_INT__k_s_g_s, HRR_INT__k_p_g_s);
1198
1199 // form INT__k_p_h_s
1200 ostei_general_hrr_J(7, 1, 5, 0, hAB, HRR_INT__l_s_h_s, HRR_INT__k_s_h_s, HRR_INT__k_p_h_s);
1201
1202 // form INT__k_p_i_s
1203 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);
1204
1205 // form INT__k_p_k_s
1206 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);
1207
1208 // form INT__g_d_g_s
1209 ostei_general_hrr_J(4, 2, 4, 0, hAB, HRR_INT__h_p_g_s, HRR_INT__g_p_g_s, HRR_INT__g_d_g_s);
1210
1211 // form INT__g_d_h_s
1212 ostei_general_hrr_J(4, 2, 5, 0, hAB, HRR_INT__h_p_h_s, HRR_INT__g_p_h_s, HRR_INT__g_d_h_s);
1213
1214 // form INT__g_d_i_s
1215 ostei_general_hrr_J(4, 2, 6, 0, hAB, HRR_INT__h_p_i_s, HRR_INT__g_p_i_s, HRR_INT__g_d_i_s);
1216
1217 // form INT__g_d_k_s
1218 ostei_general_hrr_J(4, 2, 7, 0, hAB, HRR_INT__h_p_k_s, HRR_INT__g_p_k_s, HRR_INT__g_d_k_s);
1219
1220 // form INT__h_d_g_s
1221 ostei_general_hrr_J(5, 2, 4, 0, hAB, HRR_INT__i_p_g_s, HRR_INT__h_p_g_s, HRR_INT__h_d_g_s);
1222
1223 // form INT__h_d_h_s
1224 ostei_general_hrr_J(5, 2, 5, 0, hAB, HRR_INT__i_p_h_s, HRR_INT__h_p_h_s, HRR_INT__h_d_h_s);
1225
1226 // form INT__h_d_i_s
1227 ostei_general_hrr_J(5, 2, 6, 0, hAB, HRR_INT__i_p_i_s, HRR_INT__h_p_i_s, HRR_INT__h_d_i_s);
1228
1229 // form INT__h_d_k_s
1230 ostei_general_hrr_J(5, 2, 7, 0, hAB, HRR_INT__i_p_k_s, HRR_INT__h_p_k_s, HRR_INT__h_d_k_s);
1231
1232 // form INT__i_d_g_s
1233 ostei_general_hrr_J(6, 2, 4, 0, hAB, HRR_INT__k_p_g_s, HRR_INT__i_p_g_s, HRR_INT__i_d_g_s);
1234
1235 // form INT__i_d_h_s
1236 ostei_general_hrr_J(6, 2, 5, 0, hAB, HRR_INT__k_p_h_s, HRR_INT__i_p_h_s, HRR_INT__i_d_h_s);
1237
1238 // form INT__i_d_i_s
1239 ostei_general_hrr_J(6, 2, 6, 0, hAB, HRR_INT__k_p_i_s, HRR_INT__i_p_i_s, HRR_INT__i_d_i_s);
1240
1241 // form INT__i_d_k_s
1242 ostei_general_hrr_J(6, 2, 7, 0, hAB, HRR_INT__k_p_k_s, HRR_INT__i_p_k_s, HRR_INT__i_d_k_s);
1243
1244 // form INT__g_f_g_s
1245 ostei_general_hrr_J(4, 3, 4, 0, hAB, HRR_INT__h_d_g_s, HRR_INT__g_d_g_s, HRR_INT__g_f_g_s);
1246
1247 // form INT__g_f_h_s
1248 ostei_general_hrr_J(4, 3, 5, 0, hAB, HRR_INT__h_d_h_s, HRR_INT__g_d_h_s, HRR_INT__g_f_h_s);
1249
1250 // form INT__g_f_i_s
1251 ostei_general_hrr_J(4, 3, 6, 0, hAB, HRR_INT__h_d_i_s, HRR_INT__g_d_i_s, HRR_INT__g_f_i_s);
1252
1253 // form INT__g_f_k_s
1254 ostei_general_hrr_J(4, 3, 7, 0, hAB, HRR_INT__h_d_k_s, HRR_INT__g_d_k_s, HRR_INT__g_f_k_s);
1255
1256 // form INT__h_f_g_s
1257 ostei_general_hrr_J(5, 3, 4, 0, hAB, HRR_INT__i_d_g_s, HRR_INT__h_d_g_s, HRR_INT__h_f_g_s);
1258
1259 // form INT__h_f_h_s
1260 ostei_general_hrr_J(5, 3, 5, 0, hAB, HRR_INT__i_d_h_s, HRR_INT__h_d_h_s, HRR_INT__h_f_h_s);
1261
1262 // form INT__h_f_i_s
1263 ostei_general_hrr_J(5, 3, 6, 0, hAB, HRR_INT__i_d_i_s, HRR_INT__h_d_i_s, HRR_INT__h_f_i_s);
1264
1265 // form INT__h_f_k_s
1266 ostei_general_hrr_J(5, 3, 7, 0, hAB, HRR_INT__i_d_k_s, HRR_INT__h_d_k_s, HRR_INT__h_f_k_s);
1267
1268 // form INT__g_g_g_s
1269 ostei_general_hrr_J(4, 4, 4, 0, hAB, HRR_INT__h_f_g_s, HRR_INT__g_f_g_s, HRR_INT__g_g_g_s);
1270
1271 // form INT__g_g_h_s
1272 ostei_general_hrr_J(4, 4, 5, 0, hAB, HRR_INT__h_f_h_s, HRR_INT__g_f_h_s, HRR_INT__g_g_h_s);
1273
1274 // form INT__g_g_i_s
1275 ostei_general_hrr_J(4, 4, 6, 0, hAB, HRR_INT__h_f_i_s, HRR_INT__g_f_i_s, HRR_INT__g_g_i_s);
1276
1277 // form INT__g_g_k_s
1278 ostei_general_hrr_J(4, 4, 7, 0, hAB, HRR_INT__h_f_k_s, HRR_INT__g_f_k_s, HRR_INT__g_g_k_s);
1279
1280 // form INT__g_g_g_p
1281 HRR_L_g_p(
1282 HRR_INT__g_g_g_p,
1283 HRR_INT__g_g_g_s,
1284 HRR_INT__g_g_h_s,
1285 hCD, 225);
1286
1287 // form INT__g_g_h_p
1288 ostei_general_hrr_L(4, 4, 5, 1, hCD, HRR_INT__g_g_i_s, HRR_INT__g_g_h_s, HRR_INT__g_g_h_p);
1289
1290 // form INT__g_g_i_p
1291 ostei_general_hrr_L(4, 4, 6, 1, hCD, HRR_INT__g_g_k_s, HRR_INT__g_g_i_s, HRR_INT__g_g_i_p);
1292
1293 // form INT__g_g_g_d
1294 ostei_general_hrr_L(4, 4, 4, 2, hCD, HRR_INT__g_g_h_p, HRR_INT__g_g_g_p, HRR_INT__g_g_g_d);
1295
1296 // form INT__g_g_h_d
1297 ostei_general_hrr_L(4, 4, 5, 2, hCD, HRR_INT__g_g_i_p, HRR_INT__g_g_h_p, HRR_INT__g_g_h_d);
1298
1299 // form INT__g_g_g_f
1300 ostei_general_hrr_L(4, 4, 4, 3, hCD, HRR_INT__g_g_h_d, HRR_INT__g_g_g_d, HRR_INT__g_g_g_f);
1301
1302
1303 } // close HRR loop
1304
1305
1306 } // close loop cdbatch
1307
1308 istart = iend;
1309 } // close loop over ab
1310
1311 return P.nshell12_clip * Q.nshell12_clip;
1312 }
1313
ostei_g_g_f_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_g_f_g)1314 int ostei_g_g_f_g(struct simint_multi_shellpair const P,
1315 struct simint_multi_shellpair const Q,
1316 double screen_tol,
1317 double * const restrict work,
1318 double * const restrict INT__g_g_f_g)
1319 {
1320 double Q_AB[3*Q.nshell12];
1321 struct simint_multi_shellpair Q_tmp = Q;
1322 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1323 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1324 Q_tmp.AB_x = Q_AB;
1325 Q_tmp.AB_y = Q_AB + Q.nshell12;
1326 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1327
1328 for(int i = 0; i < Q.nshell12; i++)
1329 {
1330 Q_tmp.AB_x[i] = -Q.AB_x[i];
1331 Q_tmp.AB_y[i] = -Q.AB_y[i];
1332 Q_tmp.AB_z[i] = -Q.AB_z[i];
1333 }
1334
1335 int ret = ostei_g_g_g_f(P, Q_tmp, screen_tol, work, INT__g_g_f_g);
1336 double buffer[33750] SIMINT_ALIGN_ARRAY_DBL;
1337
1338 for(int q = 0; q < ret; q++)
1339 {
1340 int idx = 0;
1341 for(int a = 0; a < 15; ++a)
1342 for(int b = 0; b < 15; ++b)
1343 for(int c = 0; c < 10; ++c)
1344 for(int d = 0; d < 15; ++d)
1345 buffer[idx++] = INT__g_g_f_g[q*33750+a*2250+b*150+d*10+c];
1346
1347 memcpy(INT__g_g_f_g+q*33750, buffer, 33750*sizeof(double));
1348 }
1349
1350 return ret;
1351 }
1352
1353