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_g_h_f(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__k_g_h_f)8 int ostei_k_g_h_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__k_g_h_f)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__k_g_h_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__k_s_h_s = work + (SIMINT_NSHELL_SIMD * 0);
30 double * const INT__k_s_i_s = work + (SIMINT_NSHELL_SIMD * 756);
31 double * const INT__k_s_k_s = work + (SIMINT_NSHELL_SIMD * 1764);
32 double * const INT__k_s_l_s = work + (SIMINT_NSHELL_SIMD * 3060);
33 double * const INT__l_s_h_s = work + (SIMINT_NSHELL_SIMD * 4680);
34 double * const INT__l_s_i_s = work + (SIMINT_NSHELL_SIMD * 5625);
35 double * const INT__l_s_k_s = work + (SIMINT_NSHELL_SIMD * 6885);
36 double * const INT__l_s_l_s = work + (SIMINT_NSHELL_SIMD * 8505);
37 double * const INT__m_s_h_s = work + (SIMINT_NSHELL_SIMD * 10530);
38 double * const INT__m_s_i_s = work + (SIMINT_NSHELL_SIMD * 11685);
39 double * const INT__m_s_k_s = work + (SIMINT_NSHELL_SIMD * 13225);
40 double * const INT__m_s_l_s = work + (SIMINT_NSHELL_SIMD * 15205);
41 double * const INT__n_s_h_s = work + (SIMINT_NSHELL_SIMD * 17680);
42 double * const INT__n_s_i_s = work + (SIMINT_NSHELL_SIMD * 19066);
43 double * const INT__n_s_k_s = work + (SIMINT_NSHELL_SIMD * 20914);
44 double * const INT__n_s_l_s = work + (SIMINT_NSHELL_SIMD * 23290);
45 double * const INT__o_s_h_s = work + (SIMINT_NSHELL_SIMD * 26260);
46 double * const INT__o_s_i_s = work + (SIMINT_NSHELL_SIMD * 27898);
47 double * const INT__o_s_k_s = work + (SIMINT_NSHELL_SIMD * 30082);
48 double * const INT__o_s_l_s = work + (SIMINT_NSHELL_SIMD * 32890);
49 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*36400);
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 + 20;
52 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 44;
53 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 101;
54 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 173;
55 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 299;
56 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 407;
57 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 551;
58 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 803;
59 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 1163;
60 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 1333;
61 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 1573;
62 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 1993;
63 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 2593;
64 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 3343;
65 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 3583;
66 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 3943;
67 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 4573;
68 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 5473;
69 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_h_s = primwork + 6598;
70 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_s_s = primwork + 7858;
71 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_p_s = primwork + 8173;
72 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_d_s = primwork + 8677;
73 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_f_s = primwork + 9559;
74 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_g_s = primwork + 10819;
75 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_h_s = primwork + 12394;
76 SIMINT_DBLTYPE * const restrict PRIM_INT__h_s_i_s = primwork + 14158;
77 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_s_s = primwork + 15922;
78 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_p_s = primwork + 16314;
79 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_d_s = primwork + 16986;
80 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_f_s = primwork + 18162;
81 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_g_s = primwork + 19842;
82 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_h_s = primwork + 21942;
83 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_i_s = primwork + 24294;
84 SIMINT_DBLTYPE * const restrict PRIM_INT__i_s_k_s = primwork + 26646;
85 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_s_s = primwork + 28662;
86 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_p_s = primwork + 29130;
87 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_d_s = primwork + 29994;
88 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_f_s = primwork + 31506;
89 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_g_s = primwork + 33666;
90 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_h_s = primwork + 36366;
91 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_i_s = primwork + 39390;
92 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_k_s = primwork + 42414;
93 SIMINT_DBLTYPE * const restrict PRIM_INT__k_s_l_s = primwork + 45006;
94 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_s_s = primwork + 46626;
95 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_p_s = primwork + 47166;
96 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_d_s = primwork + 48246;
97 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_f_s = primwork + 50136;
98 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_g_s = primwork + 52836;
99 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_h_s = primwork + 56211;
100 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_i_s = primwork + 59991;
101 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_k_s = primwork + 63771;
102 SIMINT_DBLTYPE * const restrict PRIM_INT__l_s_l_s = primwork + 67011;
103 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_s_s = primwork + 69036;
104 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_p_s = primwork + 69641;
105 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_d_s = primwork + 70961;
106 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_f_s = primwork + 73271;
107 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_g_s = primwork + 76571;
108 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_h_s = primwork + 80696;
109 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_i_s = primwork + 85316;
110 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_k_s = primwork + 89936;
111 SIMINT_DBLTYPE * const restrict PRIM_INT__m_s_l_s = primwork + 93896;
112 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_s_s = primwork + 96371;
113 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_p_s = primwork + 97031;
114 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_d_s = primwork + 98615;
115 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_f_s = primwork + 101387;
116 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_g_s = primwork + 105347;
117 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_h_s = primwork + 110297;
118 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_i_s = primwork + 115841;
119 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_k_s = primwork + 121385;
120 SIMINT_DBLTYPE * const restrict PRIM_INT__n_s_l_s = primwork + 126137;
121 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_s_s = primwork + 129107;
122 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_p_s = primwork + 129809;
123 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_d_s = primwork + 131681;
124 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_f_s = primwork + 134957;
125 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_g_s = primwork + 139637;
126 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_h_s = primwork + 145487;
127 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_i_s = primwork + 152039;
128 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_k_s = primwork + 158591;
129 SIMINT_DBLTYPE * const restrict PRIM_INT__o_s_l_s = primwork + 164207;
130 double * const hrrwork = (double *)(primwork + 167717);
131 double * const HRR_INT__k_p_h_s = hrrwork + 0;
132 double * const HRR_INT__k_p_i_s = hrrwork + 2268;
133 double * const HRR_INT__k_p_k_s = hrrwork + 5292;
134 double * const HRR_INT__k_p_l_s = hrrwork + 9180;
135 double * const HRR_INT__k_d_h_s = hrrwork + 14040;
136 double * const HRR_INT__k_d_i_s = hrrwork + 18576;
137 double * const HRR_INT__k_d_k_s = hrrwork + 24624;
138 double * const HRR_INT__k_d_l_s = hrrwork + 32400;
139 double * const HRR_INT__k_f_h_s = hrrwork + 42120;
140 double * const HRR_INT__k_f_i_s = hrrwork + 49680;
141 double * const HRR_INT__k_f_k_s = hrrwork + 59760;
142 double * const HRR_INT__k_f_l_s = hrrwork + 72720;
143 double * const HRR_INT__k_g_h_s = hrrwork + 88920;
144 double * const HRR_INT__k_g_h_p = hrrwork + 100260;
145 double * const HRR_INT__k_g_h_d = hrrwork + 134280;
146 double * const HRR_INT__k_g_i_s = hrrwork + 202320;
147 double * const HRR_INT__k_g_i_p = hrrwork + 217440;
148 double * const HRR_INT__k_g_i_d = hrrwork + 262800;
149 double * const HRR_INT__k_g_k_s = hrrwork + 353520;
150 double * const HRR_INT__k_g_k_p = hrrwork + 372960;
151 double * const HRR_INT__k_g_l_s = hrrwork + 431280;
152 double * const HRR_INT__l_p_h_s = hrrwork + 455580;
153 double * const HRR_INT__l_p_i_s = hrrwork + 458415;
154 double * const HRR_INT__l_p_k_s = hrrwork + 462195;
155 double * const HRR_INT__l_p_l_s = hrrwork + 467055;
156 double * const HRR_INT__l_d_h_s = hrrwork + 473130;
157 double * const HRR_INT__l_d_i_s = hrrwork + 478800;
158 double * const HRR_INT__l_d_k_s = hrrwork + 486360;
159 double * const HRR_INT__l_d_l_s = hrrwork + 496080;
160 double * const HRR_INT__l_f_h_s = hrrwork + 508230;
161 double * const HRR_INT__l_f_i_s = hrrwork + 517680;
162 double * const HRR_INT__l_f_k_s = hrrwork + 530280;
163 double * const HRR_INT__l_f_l_s = hrrwork + 546480;
164 double * const HRR_INT__m_p_h_s = hrrwork + 566730;
165 double * const HRR_INT__m_p_i_s = hrrwork + 570195;
166 double * const HRR_INT__m_p_k_s = hrrwork + 574815;
167 double * const HRR_INT__m_p_l_s = hrrwork + 580755;
168 double * const HRR_INT__m_d_h_s = hrrwork + 588180;
169 double * const HRR_INT__m_d_i_s = hrrwork + 595110;
170 double * const HRR_INT__m_d_k_s = hrrwork + 604350;
171 double * const HRR_INT__m_d_l_s = hrrwork + 616230;
172 double * const HRR_INT__n_p_h_s = hrrwork + 631080;
173 double * const HRR_INT__n_p_i_s = hrrwork + 635238;
174 double * const HRR_INT__n_p_k_s = hrrwork + 640782;
175 double * const HRR_INT__n_p_l_s = hrrwork + 647910;
176
177
178 // Create constants
179 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
180 const SIMINT_DBLTYPE const_10 = SIMINT_DBLSET1(10);
181 const SIMINT_DBLTYPE const_11 = SIMINT_DBLSET1(11);
182 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
183 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
184 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
185 const SIMINT_DBLTYPE const_5 = SIMINT_DBLSET1(5);
186 const SIMINT_DBLTYPE const_6 = SIMINT_DBLSET1(6);
187 const SIMINT_DBLTYPE const_7 = SIMINT_DBLSET1(7);
188 const SIMINT_DBLTYPE const_8 = SIMINT_DBLSET1(8);
189 const SIMINT_DBLTYPE const_9 = SIMINT_DBLSET1(9);
190 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
191
192
193 ////////////////////////////////////////
194 // Loop over shells and primitives
195 ////////////////////////////////////////
196
197 real_abcd = 0;
198 istart = 0;
199 for(ab = 0; ab < P.nshell12_clip; ++ab)
200 {
201 const int iend = istart + P.nprim12[ab];
202
203 cd = 0;
204 jstart = 0;
205
206 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
207 {
208 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
209 int jend = jstart;
210 for(i = 0; i < nshellbatch; i++)
211 jend += Q.nprim12[cd+i];
212
213 // Clear the beginning of the workspace (where we are accumulating integrals)
214 memset(work, 0, SIMINT_NSHELL_SIMD * 36400 * sizeof(double));
215 abcd = 0;
216
217
218 for(i = istart; i < iend; ++i)
219 {
220 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
221
222 if(check_screen)
223 {
224 // Skip this whole thing if always insignificant
225 if((P.screen[i] * Q.screen_max) < screen_tol)
226 continue;
227 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
228 }
229
230 icd = 0;
231 iprimcd = 0;
232 nprim_icd = Q.nprim12[cd];
233 double * restrict PRIM_PTR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
234 double * restrict PRIM_PTR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
235 double * restrict PRIM_PTR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
236 double * restrict PRIM_PTR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
237 double * restrict PRIM_PTR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
238 double * restrict PRIM_PTR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
239 double * restrict PRIM_PTR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
240 double * restrict PRIM_PTR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
241 double * restrict PRIM_PTR_INT__m_s_h_s = INT__m_s_h_s + abcd * 1155;
242 double * restrict PRIM_PTR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
243 double * restrict PRIM_PTR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
244 double * restrict PRIM_PTR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
245 double * restrict PRIM_PTR_INT__n_s_h_s = INT__n_s_h_s + abcd * 1386;
246 double * restrict PRIM_PTR_INT__n_s_i_s = INT__n_s_i_s + abcd * 1848;
247 double * restrict PRIM_PTR_INT__n_s_k_s = INT__n_s_k_s + abcd * 2376;
248 double * restrict PRIM_PTR_INT__n_s_l_s = INT__n_s_l_s + abcd * 2970;
249 double * restrict PRIM_PTR_INT__o_s_h_s = INT__o_s_h_s + abcd * 1638;
250 double * restrict PRIM_PTR_INT__o_s_i_s = INT__o_s_i_s + abcd * 2184;
251 double * restrict PRIM_PTR_INT__o_s_k_s = INT__o_s_k_s + abcd * 2808;
252 double * restrict PRIM_PTR_INT__o_s_l_s = INT__o_s_l_s + abcd * 3510;
253
254
255
256 // Load these one per loop over i
257 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
258 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
259 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
260
261 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
262
263 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
264 {
265 // calculate the shell offsets
266 // these are the offset from the shell pointed to by cd
267 // for each element
268 int shelloffsets[SIMINT_SIMD_LEN] = {0};
269 int lastoffset = 0;
270 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
271
272 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
273 {
274 // Handle if the first element of the vector is a new shell
275 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
276 {
277 nprim_icd += Q.nprim12[cd + (++icd)];
278 PRIM_PTR_INT__k_s_h_s += 756;
279 PRIM_PTR_INT__k_s_i_s += 1008;
280 PRIM_PTR_INT__k_s_k_s += 1296;
281 PRIM_PTR_INT__k_s_l_s += 1620;
282 PRIM_PTR_INT__l_s_h_s += 945;
283 PRIM_PTR_INT__l_s_i_s += 1260;
284 PRIM_PTR_INT__l_s_k_s += 1620;
285 PRIM_PTR_INT__l_s_l_s += 2025;
286 PRIM_PTR_INT__m_s_h_s += 1155;
287 PRIM_PTR_INT__m_s_i_s += 1540;
288 PRIM_PTR_INT__m_s_k_s += 1980;
289 PRIM_PTR_INT__m_s_l_s += 2475;
290 PRIM_PTR_INT__n_s_h_s += 1386;
291 PRIM_PTR_INT__n_s_i_s += 1848;
292 PRIM_PTR_INT__n_s_k_s += 2376;
293 PRIM_PTR_INT__n_s_l_s += 2970;
294 PRIM_PTR_INT__o_s_h_s += 1638;
295 PRIM_PTR_INT__o_s_i_s += 2184;
296 PRIM_PTR_INT__o_s_k_s += 2808;
297 PRIM_PTR_INT__o_s_l_s += 3510;
298 }
299 iprimcd++;
300 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
301 {
302 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
303 {
304 shelloffsets[n] = shelloffsets[n-1] + 1;
305 lastoffset++;
306 nprim_icd += Q.nprim12[cd + (++icd)];
307 }
308 else
309 shelloffsets[n] = shelloffsets[n-1];
310 iprimcd++;
311 }
312 }
313 else
314 iprimcd += SIMINT_SIMD_LEN;
315
316 // Do we have to compute this vector (or has it been screened out)?
317 // (not_screened != 0 means we have to do this vector)
318 if(check_screen)
319 {
320 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
321 if(vmax < screen_tol)
322 {
323 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
324 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
325 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
326 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
327 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
328 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
329 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
330 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
331 PRIM_PTR_INT__m_s_h_s += lastoffset*1155;
332 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
333 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
334 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
335 PRIM_PTR_INT__n_s_h_s += lastoffset*1386;
336 PRIM_PTR_INT__n_s_i_s += lastoffset*1848;
337 PRIM_PTR_INT__n_s_k_s += lastoffset*2376;
338 PRIM_PTR_INT__n_s_l_s += lastoffset*2970;
339 PRIM_PTR_INT__o_s_h_s += lastoffset*1638;
340 PRIM_PTR_INT__o_s_i_s += lastoffset*2184;
341 PRIM_PTR_INT__o_s_k_s += lastoffset*2808;
342 PRIM_PTR_INT__o_s_l_s += lastoffset*3510;
343 continue;
344 }
345 }
346
347 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
348 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
349 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
350 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
351
352
353 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
354 SIMINT_DBLTYPE PQ[3];
355 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
356 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
357 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
358 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
359 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
360 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
361
362 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
363 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
364 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
365 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
366 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
367 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
368 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
369
370 // NOTE: Minus sign!
371 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
372 SIMINT_DBLTYPE aop_PQ[3];
373 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
374 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
375 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
376
377 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
378 SIMINT_DBLTYPE aoq_PQ[3];
379 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
380 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
381 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
382 // Put a minus sign here so we don't have to in RR routines
383 a_over_q = SIMINT_NEG(a_over_q);
384
385
386 //////////////////////////////////////////////
387 // Fjt function section
388 // Maximum v value: 19
389 //////////////////////////////////////////////
390 // The parameter to the Fjt function
391 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
392
393
394 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
395
396
397 boys_F_split(PRIM_INT__s_s_s_s, F_x, 19);
398 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
399 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
400 for(n = 0; n <= 19; n++)
401 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
402
403 //////////////////////////////////////////////
404 // Primitive integrals: Vertical recurrance
405 //////////////////////////////////////////////
406
407 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
408 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
409 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
410 const SIMINT_DBLTYPE vrr_const_4_over_2p = SIMINT_MUL(const_4, one_over_2p);
411 const SIMINT_DBLTYPE vrr_const_5_over_2p = SIMINT_MUL(const_5, one_over_2p);
412 const SIMINT_DBLTYPE vrr_const_6_over_2p = SIMINT_MUL(const_6, one_over_2p);
413 const SIMINT_DBLTYPE vrr_const_7_over_2p = SIMINT_MUL(const_7, one_over_2p);
414 const SIMINT_DBLTYPE vrr_const_8_over_2p = SIMINT_MUL(const_8, one_over_2p);
415 const SIMINT_DBLTYPE vrr_const_9_over_2p = SIMINT_MUL(const_9, one_over_2p);
416 const SIMINT_DBLTYPE vrr_const_10_over_2p = SIMINT_MUL(const_10, one_over_2p);
417 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
418 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
419 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
420 const SIMINT_DBLTYPE vrr_const_4_over_2q = SIMINT_MUL(const_4, one_over_2q);
421 const SIMINT_DBLTYPE vrr_const_5_over_2q = SIMINT_MUL(const_5, one_over_2q);
422 const SIMINT_DBLTYPE vrr_const_6_over_2q = SIMINT_MUL(const_6, one_over_2q);
423 const SIMINT_DBLTYPE vrr_const_7_over_2q = SIMINT_MUL(const_7, one_over_2q);
424 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
425 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
426 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
427 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
428 const SIMINT_DBLTYPE vrr_const_5_over_2pq = SIMINT_MUL(const_5, one_over_2pq);
429 const SIMINT_DBLTYPE vrr_const_6_over_2pq = SIMINT_MUL(const_6, one_over_2pq);
430 const SIMINT_DBLTYPE vrr_const_7_over_2pq = SIMINT_MUL(const_7, one_over_2pq);
431 const SIMINT_DBLTYPE vrr_const_8_over_2pq = SIMINT_MUL(const_8, one_over_2pq);
432 const SIMINT_DBLTYPE vrr_const_9_over_2pq = SIMINT_MUL(const_9, one_over_2pq);
433 const SIMINT_DBLTYPE vrr_const_10_over_2pq = SIMINT_MUL(const_10, one_over_2pq);
434 const SIMINT_DBLTYPE vrr_const_11_over_2pq = SIMINT_MUL(const_11, one_over_2pq);
435
436
437
438 // Forming PRIM_INT__p_s_s_s[19 * 3];
439 for(n = 0; n < 19; ++n) // loop over orders of auxiliary function
440 {
441
442 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
443 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]);
444
445 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
446 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]);
447
448 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
449 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]);
450
451 }
452
453
454
455 // Forming PRIM_INT__d_s_s_s[18 * 6];
456 for(n = 0; n < 18; ++n) // loop over orders of auxiliary function
457 {
458
459 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
460 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]);
461 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]);
462
463 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
464 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]);
465
466 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
467 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]);
468
469 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
470 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]);
471 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]);
472
473 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
474 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]);
475
476 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
477 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]);
478 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]);
479
480 }
481
482
483
484 // Forming PRIM_INT__f_s_s_s[17 * 10];
485 for(n = 0; n < 17; ++n) // loop over orders of auxiliary function
486 {
487
488 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
489 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]);
490 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]);
491
492 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
493 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]);
494
495 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
496 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]);
497
498 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
499 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]);
500
501 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
502 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]);
503
504 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
505 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]);
506
507 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
508 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]);
509 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]);
510
511 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
512 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]);
513
514 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
515 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]);
516
517 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
518 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]);
519 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]);
520
521 }
522
523
524 VRR_I_g_s_s_s(
525 PRIM_INT__g_s_s_s,
526 PRIM_INT__f_s_s_s,
527 PRIM_INT__d_s_s_s,
528 P_PA,
529 a_over_p,
530 aop_PQ,
531 one_over_2p,
532 16);
533
534
535 VRR_I_h_s_s_s(
536 PRIM_INT__h_s_s_s,
537 PRIM_INT__g_s_s_s,
538 PRIM_INT__f_s_s_s,
539 P_PA,
540 a_over_p,
541 aop_PQ,
542 one_over_2p,
543 15);
544
545
546 ostei_general_vrr1_I(6, 14,
547 one_over_2p, a_over_p, aop_PQ, P_PA,
548 PRIM_INT__h_s_s_s, PRIM_INT__g_s_s_s, PRIM_INT__i_s_s_s);
549
550
551 ostei_general_vrr1_I(7, 13,
552 one_over_2p, a_over_p, aop_PQ, P_PA,
553 PRIM_INT__i_s_s_s, PRIM_INT__h_s_s_s, PRIM_INT__k_s_s_s);
554
555
556 ostei_general_vrr_K(7, 0, 1, 0, 8,
557 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
558 PRIM_INT__k_s_s_s, NULL, NULL, PRIM_INT__i_s_s_s, NULL, PRIM_INT__k_s_p_s);
559
560
561 ostei_general_vrr_K(6, 0, 1, 0, 8,
562 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
563 PRIM_INT__i_s_s_s, NULL, NULL, PRIM_INT__h_s_s_s, NULL, PRIM_INT__i_s_p_s);
564
565
566 ostei_general_vrr_K(7, 0, 2, 0, 7,
567 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
568 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);
569
570
571 ostei_general_vrr_K(5, 0, 1, 0, 8,
572 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
573 PRIM_INT__h_s_s_s, NULL, NULL, PRIM_INT__g_s_s_s, NULL, PRIM_INT__h_s_p_s);
574
575
576 ostei_general_vrr_K(6, 0, 2, 0, 7,
577 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
578 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);
579
580
581 ostei_general_vrr_K(7, 0, 3, 0, 6,
582 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
583 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);
584
585
586 VRR_K_g_s_p_s(
587 PRIM_INT__g_s_p_s,
588 PRIM_INT__g_s_s_s,
589 PRIM_INT__f_s_s_s,
590 Q_PA,
591 aoq_PQ,
592 one_over_2pq,
593 8);
594
595
596 ostei_general_vrr_K(5, 0, 2, 0, 7,
597 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
598 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);
599
600
601 ostei_general_vrr_K(6, 0, 3, 0, 6,
602 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
603 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);
604
605
606 ostei_general_vrr_K(7, 0, 4, 0, 5,
607 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
608 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);
609
610
611 VRR_K_f_s_p_s(
612 PRIM_INT__f_s_p_s,
613 PRIM_INT__f_s_s_s,
614 PRIM_INT__d_s_s_s,
615 Q_PA,
616 aoq_PQ,
617 one_over_2pq,
618 8);
619
620
621 ostei_general_vrr_K(4, 0, 2, 0, 7,
622 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
623 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);
624
625
626 ostei_general_vrr_K(5, 0, 3, 0, 6,
627 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
628 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);
629
630
631 ostei_general_vrr_K(6, 0, 4, 0, 5,
632 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
633 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);
634
635
636 ostei_general_vrr_K(7, 0, 5, 0, 4,
637 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
638 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);
639
640
641
642 // Forming PRIM_INT__d_s_p_s[8 * 18];
643 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
644 {
645
646 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
647 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]);
648 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]);
649
650 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
651 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]);
652
653 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
654 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]);
655
656 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
657 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]);
658 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]);
659
660 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
661 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]);
662 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]);
663
664 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
665 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]);
666
667 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
668 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]);
669 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]);
670
671 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
672 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]);
673
674 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
675 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]);
676 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]);
677
678 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
679 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]);
680
681 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
682 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]);
683 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]);
684
685 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
686 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]);
687
688 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
689 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]);
690
691 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
692 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]);
693 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]);
694
695 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
696 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]);
697 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]);
698
699 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
700 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]);
701
702 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
703 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]);
704
705 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
706 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]);
707 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]);
708
709 }
710
711
712 VRR_K_f_s_d_s(
713 PRIM_INT__f_s_d_s,
714 PRIM_INT__f_s_p_s,
715 PRIM_INT__f_s_s_s,
716 PRIM_INT__d_s_p_s,
717 Q_PA,
718 a_over_q,
719 aoq_PQ,
720 one_over_2pq,
721 one_over_2q,
722 7);
723
724
725 ostei_general_vrr_K(4, 0, 3, 0, 6,
726 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
727 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);
728
729
730 ostei_general_vrr_K(5, 0, 4, 0, 5,
731 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
732 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);
733
734
735 ostei_general_vrr_K(6, 0, 5, 0, 4,
736 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
737 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);
738
739
740 ostei_general_vrr_K(7, 0, 6, 0, 3,
741 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
742 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);
743
744
745 ostei_general_vrr1_I(8, 12,
746 one_over_2p, a_over_p, aop_PQ, P_PA,
747 PRIM_INT__k_s_s_s, PRIM_INT__i_s_s_s, PRIM_INT__l_s_s_s);
748
749
750 ostei_general_vrr_K(8, 0, 1, 0, 8,
751 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
752 PRIM_INT__l_s_s_s, NULL, NULL, PRIM_INT__k_s_s_s, NULL, PRIM_INT__l_s_p_s);
753
754
755 ostei_general_vrr_K(8, 0, 2, 0, 7,
756 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
757 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);
758
759
760 ostei_general_vrr_K(8, 0, 3, 0, 6,
761 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
762 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);
763
764
765 ostei_general_vrr_K(8, 0, 4, 0, 5,
766 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
767 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);
768
769
770 ostei_general_vrr_K(8, 0, 5, 0, 4,
771 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
772 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);
773
774
775
776 // Forming PRIM_INT__p_s_p_s[8 * 9];
777 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
778 {
779
780 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
781 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]);
782 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]);
783
784 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
785 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]);
786
787 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
788 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]);
789
790 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
791 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]);
792
793 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
794 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]);
795 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]);
796
797 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
798 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]);
799
800 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
801 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]);
802
803 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
804 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]);
805
806 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
807 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]);
808 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]);
809
810 }
811
812
813 VRR_K_d_s_d_s(
814 PRIM_INT__d_s_d_s,
815 PRIM_INT__d_s_p_s,
816 PRIM_INT__d_s_s_s,
817 PRIM_INT__p_s_p_s,
818 Q_PA,
819 a_over_q,
820 aoq_PQ,
821 one_over_2pq,
822 one_over_2q,
823 7);
824
825
826 ostei_general_vrr_K(3, 0, 3, 0, 6,
827 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
828 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);
829
830
831 ostei_general_vrr_K(4, 0, 4, 0, 5,
832 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
833 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);
834
835
836 ostei_general_vrr_K(5, 0, 5, 0, 4,
837 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
838 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);
839
840
841 ostei_general_vrr_K(6, 0, 6, 0, 3,
842 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
843 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);
844
845
846 ostei_general_vrr_K(7, 0, 7, 0, 2,
847 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
848 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);
849
850
851 ostei_general_vrr_K(8, 0, 6, 0, 3,
852 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
853 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);
854
855
856 ostei_general_vrr1_I(9, 11,
857 one_over_2p, a_over_p, aop_PQ, P_PA,
858 PRIM_INT__l_s_s_s, PRIM_INT__k_s_s_s, PRIM_INT__m_s_s_s);
859
860
861 ostei_general_vrr_K(9, 0, 1, 0, 8,
862 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
863 PRIM_INT__m_s_s_s, NULL, NULL, PRIM_INT__l_s_s_s, NULL, PRIM_INT__m_s_p_s);
864
865
866 ostei_general_vrr_K(9, 0, 2, 0, 7,
867 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
868 PRIM_INT__m_s_p_s, PRIM_INT__m_s_s_s, NULL, PRIM_INT__l_s_p_s, NULL, PRIM_INT__m_s_d_s);
869
870
871 ostei_general_vrr_K(9, 0, 3, 0, 6,
872 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
873 PRIM_INT__m_s_d_s, PRIM_INT__m_s_p_s, NULL, PRIM_INT__l_s_d_s, NULL, PRIM_INT__m_s_f_s);
874
875
876 ostei_general_vrr_K(9, 0, 4, 0, 5,
877 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
878 PRIM_INT__m_s_f_s, PRIM_INT__m_s_d_s, NULL, PRIM_INT__l_s_f_s, NULL, PRIM_INT__m_s_g_s);
879
880
881 ostei_general_vrr_K(9, 0, 5, 0, 4,
882 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
883 PRIM_INT__m_s_g_s, PRIM_INT__m_s_f_s, NULL, PRIM_INT__l_s_g_s, NULL, PRIM_INT__m_s_h_s);
884
885
886
887 // Forming PRIM_INT__s_s_p_s[8 * 3];
888 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
889 {
890
891 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
892 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]);
893
894 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
895 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]);
896
897 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
898 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]);
899
900 }
901
902
903
904 // Forming PRIM_INT__p_s_d_s[7 * 18];
905 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
906 {
907
908 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
909 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]);
910 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]);
911 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]);
912
913 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
914 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]);
915 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]);
916
917 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
918 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]);
919 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]);
920
921 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
922 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]);
923 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]);
924
925 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
926 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]);
927 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]);
928 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]);
929
930 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
931 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]);
932 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]);
933
934 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
935 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]);
936 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]);
937
938 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
939 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]);
940 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]);
941
942 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
943 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]);
944 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]);
945 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]);
946
947 }
948
949
950 VRR_K_d_s_f_s(
951 PRIM_INT__d_s_f_s,
952 PRIM_INT__d_s_d_s,
953 PRIM_INT__d_s_p_s,
954 PRIM_INT__p_s_d_s,
955 Q_PA,
956 a_over_q,
957 aoq_PQ,
958 one_over_2pq,
959 one_over_2q,
960 6);
961
962
963 ostei_general_vrr_K(3, 0, 4, 0, 5,
964 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
965 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);
966
967
968 ostei_general_vrr_K(4, 0, 5, 0, 4,
969 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
970 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);
971
972
973 ostei_general_vrr_K(5, 0, 6, 0, 3,
974 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
975 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);
976
977
978 ostei_general_vrr_K(6, 0, 7, 0, 2,
979 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
980 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);
981
982
983 ostei_general_vrr_K(7, 0, 8, 0, 1,
984 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
985 PRIM_INT__k_s_k_s, PRIM_INT__k_s_i_s, NULL, PRIM_INT__i_s_k_s, NULL, PRIM_INT__k_s_l_s);
986
987
988 ostei_general_vrr_K(8, 0, 7, 0, 2,
989 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
990 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);
991
992
993 ostei_general_vrr_K(9, 0, 6, 0, 3,
994 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
995 PRIM_INT__m_s_h_s, PRIM_INT__m_s_g_s, NULL, PRIM_INT__l_s_h_s, NULL, PRIM_INT__m_s_i_s);
996
997
998 ostei_general_vrr1_I(10, 10,
999 one_over_2p, a_over_p, aop_PQ, P_PA,
1000 PRIM_INT__m_s_s_s, PRIM_INT__l_s_s_s, PRIM_INT__n_s_s_s);
1001
1002
1003 ostei_general_vrr_K(10, 0, 1, 0, 8,
1004 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1005 PRIM_INT__n_s_s_s, NULL, NULL, PRIM_INT__m_s_s_s, NULL, PRIM_INT__n_s_p_s);
1006
1007
1008 ostei_general_vrr_K(10, 0, 2, 0, 7,
1009 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1010 PRIM_INT__n_s_p_s, PRIM_INT__n_s_s_s, NULL, PRIM_INT__m_s_p_s, NULL, PRIM_INT__n_s_d_s);
1011
1012
1013 ostei_general_vrr_K(10, 0, 3, 0, 6,
1014 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1015 PRIM_INT__n_s_d_s, PRIM_INT__n_s_p_s, NULL, PRIM_INT__m_s_d_s, NULL, PRIM_INT__n_s_f_s);
1016
1017
1018 ostei_general_vrr_K(10, 0, 4, 0, 5,
1019 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1020 PRIM_INT__n_s_f_s, PRIM_INT__n_s_d_s, NULL, PRIM_INT__m_s_f_s, NULL, PRIM_INT__n_s_g_s);
1021
1022
1023 ostei_general_vrr_K(10, 0, 5, 0, 4,
1024 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1025 PRIM_INT__n_s_g_s, PRIM_INT__n_s_f_s, NULL, PRIM_INT__m_s_g_s, NULL, PRIM_INT__n_s_h_s);
1026
1027
1028 ostei_general_vrr_K(8, 0, 8, 0, 1,
1029 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1030 PRIM_INT__l_s_k_s, PRIM_INT__l_s_i_s, NULL, PRIM_INT__k_s_k_s, NULL, PRIM_INT__l_s_l_s);
1031
1032
1033 ostei_general_vrr_K(9, 0, 7, 0, 2,
1034 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1035 PRIM_INT__m_s_i_s, PRIM_INT__m_s_h_s, NULL, PRIM_INT__l_s_i_s, NULL, PRIM_INT__m_s_k_s);
1036
1037
1038 ostei_general_vrr_K(10, 0, 6, 0, 3,
1039 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1040 PRIM_INT__n_s_h_s, PRIM_INT__n_s_g_s, NULL, PRIM_INT__m_s_h_s, NULL, PRIM_INT__n_s_i_s);
1041
1042
1043 ostei_general_vrr1_I(11, 9,
1044 one_over_2p, a_over_p, aop_PQ, P_PA,
1045 PRIM_INT__n_s_s_s, PRIM_INT__m_s_s_s, PRIM_INT__o_s_s_s);
1046
1047
1048 ostei_general_vrr_K(11, 0, 1, 0, 8,
1049 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1050 PRIM_INT__o_s_s_s, NULL, NULL, PRIM_INT__n_s_s_s, NULL, PRIM_INT__o_s_p_s);
1051
1052
1053 ostei_general_vrr_K(11, 0, 2, 0, 7,
1054 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1055 PRIM_INT__o_s_p_s, PRIM_INT__o_s_s_s, NULL, PRIM_INT__n_s_p_s, NULL, PRIM_INT__o_s_d_s);
1056
1057
1058 ostei_general_vrr_K(11, 0, 3, 0, 6,
1059 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1060 PRIM_INT__o_s_d_s, PRIM_INT__o_s_p_s, NULL, PRIM_INT__n_s_d_s, NULL, PRIM_INT__o_s_f_s);
1061
1062
1063 ostei_general_vrr_K(11, 0, 4, 0, 5,
1064 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1065 PRIM_INT__o_s_f_s, PRIM_INT__o_s_d_s, NULL, PRIM_INT__n_s_f_s, NULL, PRIM_INT__o_s_g_s);
1066
1067
1068 ostei_general_vrr_K(11, 0, 5, 0, 4,
1069 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1070 PRIM_INT__o_s_g_s, PRIM_INT__o_s_f_s, NULL, PRIM_INT__n_s_g_s, NULL, PRIM_INT__o_s_h_s);
1071
1072
1073 ostei_general_vrr_K(9, 0, 8, 0, 1,
1074 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1075 PRIM_INT__m_s_k_s, PRIM_INT__m_s_i_s, NULL, PRIM_INT__l_s_k_s, NULL, PRIM_INT__m_s_l_s);
1076
1077
1078 ostei_general_vrr_K(10, 0, 7, 0, 2,
1079 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1080 PRIM_INT__n_s_i_s, PRIM_INT__n_s_h_s, NULL, PRIM_INT__m_s_i_s, NULL, PRIM_INT__n_s_k_s);
1081
1082
1083 ostei_general_vrr_K(11, 0, 6, 0, 3,
1084 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1085 PRIM_INT__o_s_h_s, PRIM_INT__o_s_g_s, NULL, PRIM_INT__n_s_h_s, NULL, PRIM_INT__o_s_i_s);
1086
1087
1088 ostei_general_vrr_K(10, 0, 8, 0, 1,
1089 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1090 PRIM_INT__n_s_k_s, PRIM_INT__n_s_i_s, NULL, PRIM_INT__m_s_k_s, NULL, PRIM_INT__n_s_l_s);
1091
1092
1093 ostei_general_vrr_K(11, 0, 7, 0, 2,
1094 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1095 PRIM_INT__o_s_i_s, PRIM_INT__o_s_h_s, NULL, PRIM_INT__n_s_i_s, NULL, PRIM_INT__o_s_k_s);
1096
1097
1098 ostei_general_vrr_K(11, 0, 8, 0, 1,
1099 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
1100 PRIM_INT__o_s_k_s, PRIM_INT__o_s_i_s, NULL, PRIM_INT__n_s_k_s, NULL, PRIM_INT__o_s_l_s);
1101
1102
1103
1104
1105 ////////////////////////////////////
1106 // Accumulate contracted integrals
1107 ////////////////////////////////////
1108 if(lastoffset == 0)
1109 {
1110 contract_all(756, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1111 contract_all(1008, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1112 contract_all(1296, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1113 contract_all(1620, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1114 contract_all(945, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1115 contract_all(1260, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1116 contract_all(1620, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1117 contract_all(2025, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1118 contract_all(1155, PRIM_INT__m_s_h_s, PRIM_PTR_INT__m_s_h_s);
1119 contract_all(1540, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
1120 contract_all(1980, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1121 contract_all(2475, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1122 contract_all(1386, PRIM_INT__n_s_h_s, PRIM_PTR_INT__n_s_h_s);
1123 contract_all(1848, PRIM_INT__n_s_i_s, PRIM_PTR_INT__n_s_i_s);
1124 contract_all(2376, PRIM_INT__n_s_k_s, PRIM_PTR_INT__n_s_k_s);
1125 contract_all(2970, PRIM_INT__n_s_l_s, PRIM_PTR_INT__n_s_l_s);
1126 contract_all(1638, PRIM_INT__o_s_h_s, PRIM_PTR_INT__o_s_h_s);
1127 contract_all(2184, PRIM_INT__o_s_i_s, PRIM_PTR_INT__o_s_i_s);
1128 contract_all(2808, PRIM_INT__o_s_k_s, PRIM_PTR_INT__o_s_k_s);
1129 contract_all(3510, PRIM_INT__o_s_l_s, PRIM_PTR_INT__o_s_l_s);
1130 }
1131 else
1132 {
1133 contract(756, shelloffsets, PRIM_INT__k_s_h_s, PRIM_PTR_INT__k_s_h_s);
1134 contract(1008, shelloffsets, PRIM_INT__k_s_i_s, PRIM_PTR_INT__k_s_i_s);
1135 contract(1296, shelloffsets, PRIM_INT__k_s_k_s, PRIM_PTR_INT__k_s_k_s);
1136 contract(1620, shelloffsets, PRIM_INT__k_s_l_s, PRIM_PTR_INT__k_s_l_s);
1137 contract(945, shelloffsets, PRIM_INT__l_s_h_s, PRIM_PTR_INT__l_s_h_s);
1138 contract(1260, shelloffsets, PRIM_INT__l_s_i_s, PRIM_PTR_INT__l_s_i_s);
1139 contract(1620, shelloffsets, PRIM_INT__l_s_k_s, PRIM_PTR_INT__l_s_k_s);
1140 contract(2025, shelloffsets, PRIM_INT__l_s_l_s, PRIM_PTR_INT__l_s_l_s);
1141 contract(1155, shelloffsets, PRIM_INT__m_s_h_s, PRIM_PTR_INT__m_s_h_s);
1142 contract(1540, shelloffsets, PRIM_INT__m_s_i_s, PRIM_PTR_INT__m_s_i_s);
1143 contract(1980, shelloffsets, PRIM_INT__m_s_k_s, PRIM_PTR_INT__m_s_k_s);
1144 contract(2475, shelloffsets, PRIM_INT__m_s_l_s, PRIM_PTR_INT__m_s_l_s);
1145 contract(1386, shelloffsets, PRIM_INT__n_s_h_s, PRIM_PTR_INT__n_s_h_s);
1146 contract(1848, shelloffsets, PRIM_INT__n_s_i_s, PRIM_PTR_INT__n_s_i_s);
1147 contract(2376, shelloffsets, PRIM_INT__n_s_k_s, PRIM_PTR_INT__n_s_k_s);
1148 contract(2970, shelloffsets, PRIM_INT__n_s_l_s, PRIM_PTR_INT__n_s_l_s);
1149 contract(1638, shelloffsets, PRIM_INT__o_s_h_s, PRIM_PTR_INT__o_s_h_s);
1150 contract(2184, shelloffsets, PRIM_INT__o_s_i_s, PRIM_PTR_INT__o_s_i_s);
1151 contract(2808, shelloffsets, PRIM_INT__o_s_k_s, PRIM_PTR_INT__o_s_k_s);
1152 contract(3510, shelloffsets, PRIM_INT__o_s_l_s, PRIM_PTR_INT__o_s_l_s);
1153 PRIM_PTR_INT__k_s_h_s += lastoffset*756;
1154 PRIM_PTR_INT__k_s_i_s += lastoffset*1008;
1155 PRIM_PTR_INT__k_s_k_s += lastoffset*1296;
1156 PRIM_PTR_INT__k_s_l_s += lastoffset*1620;
1157 PRIM_PTR_INT__l_s_h_s += lastoffset*945;
1158 PRIM_PTR_INT__l_s_i_s += lastoffset*1260;
1159 PRIM_PTR_INT__l_s_k_s += lastoffset*1620;
1160 PRIM_PTR_INT__l_s_l_s += lastoffset*2025;
1161 PRIM_PTR_INT__m_s_h_s += lastoffset*1155;
1162 PRIM_PTR_INT__m_s_i_s += lastoffset*1540;
1163 PRIM_PTR_INT__m_s_k_s += lastoffset*1980;
1164 PRIM_PTR_INT__m_s_l_s += lastoffset*2475;
1165 PRIM_PTR_INT__n_s_h_s += lastoffset*1386;
1166 PRIM_PTR_INT__n_s_i_s += lastoffset*1848;
1167 PRIM_PTR_INT__n_s_k_s += lastoffset*2376;
1168 PRIM_PTR_INT__n_s_l_s += lastoffset*2970;
1169 PRIM_PTR_INT__o_s_h_s += lastoffset*1638;
1170 PRIM_PTR_INT__o_s_i_s += lastoffset*2184;
1171 PRIM_PTR_INT__o_s_k_s += lastoffset*2808;
1172 PRIM_PTR_INT__o_s_l_s += lastoffset*3510;
1173 }
1174
1175 } // close loop over j
1176 } // close loop over i
1177
1178 //Advance to the next batch
1179 jstart = SIMINT_SIMD_ROUND(jend);
1180
1181 //////////////////////////////////////////////
1182 // Contracted integrals: Horizontal recurrance
1183 //////////////////////////////////////////////
1184
1185
1186 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
1187
1188
1189 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
1190 {
1191 const double hCD[3] = { Q.AB_x[cd+abcd], Q.AB_y[cd+abcd], Q.AB_z[cd+abcd] };
1192
1193 // set up HRR pointers
1194 double const * restrict HRR_INT__k_s_h_s = INT__k_s_h_s + abcd * 756;
1195 double const * restrict HRR_INT__k_s_i_s = INT__k_s_i_s + abcd * 1008;
1196 double const * restrict HRR_INT__k_s_k_s = INT__k_s_k_s + abcd * 1296;
1197 double const * restrict HRR_INT__k_s_l_s = INT__k_s_l_s + abcd * 1620;
1198 double const * restrict HRR_INT__l_s_h_s = INT__l_s_h_s + abcd * 945;
1199 double const * restrict HRR_INT__l_s_i_s = INT__l_s_i_s + abcd * 1260;
1200 double const * restrict HRR_INT__l_s_k_s = INT__l_s_k_s + abcd * 1620;
1201 double const * restrict HRR_INT__l_s_l_s = INT__l_s_l_s + abcd * 2025;
1202 double const * restrict HRR_INT__m_s_h_s = INT__m_s_h_s + abcd * 1155;
1203 double const * restrict HRR_INT__m_s_i_s = INT__m_s_i_s + abcd * 1540;
1204 double const * restrict HRR_INT__m_s_k_s = INT__m_s_k_s + abcd * 1980;
1205 double const * restrict HRR_INT__m_s_l_s = INT__m_s_l_s + abcd * 2475;
1206 double const * restrict HRR_INT__n_s_h_s = INT__n_s_h_s + abcd * 1386;
1207 double const * restrict HRR_INT__n_s_i_s = INT__n_s_i_s + abcd * 1848;
1208 double const * restrict HRR_INT__n_s_k_s = INT__n_s_k_s + abcd * 2376;
1209 double const * restrict HRR_INT__n_s_l_s = INT__n_s_l_s + abcd * 2970;
1210 double const * restrict HRR_INT__o_s_h_s = INT__o_s_h_s + abcd * 1638;
1211 double const * restrict HRR_INT__o_s_i_s = INT__o_s_i_s + abcd * 2184;
1212 double const * restrict HRR_INT__o_s_k_s = INT__o_s_k_s + abcd * 2808;
1213 double const * restrict HRR_INT__o_s_l_s = INT__o_s_l_s + abcd * 3510;
1214 double * restrict HRR_INT__k_g_h_f = INT__k_g_h_f + real_abcd * 113400;
1215
1216 // form INT__k_p_h_s
1217 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);
1218
1219 // form INT__k_p_i_s
1220 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);
1221
1222 // form INT__k_p_k_s
1223 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);
1224
1225 // form INT__k_p_l_s
1226 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);
1227
1228 // form INT__l_p_h_s
1229 ostei_general_hrr_J(8, 1, 5, 0, hAB, HRR_INT__m_s_h_s, HRR_INT__l_s_h_s, HRR_INT__l_p_h_s);
1230
1231 // form INT__l_p_i_s
1232 ostei_general_hrr_J(8, 1, 6, 0, hAB, HRR_INT__m_s_i_s, HRR_INT__l_s_i_s, HRR_INT__l_p_i_s);
1233
1234 // form INT__l_p_k_s
1235 ostei_general_hrr_J(8, 1, 7, 0, hAB, HRR_INT__m_s_k_s, HRR_INT__l_s_k_s, HRR_INT__l_p_k_s);
1236
1237 // form INT__l_p_l_s
1238 ostei_general_hrr_J(8, 1, 8, 0, hAB, HRR_INT__m_s_l_s, HRR_INT__l_s_l_s, HRR_INT__l_p_l_s);
1239
1240 // form INT__m_p_h_s
1241 ostei_general_hrr_J(9, 1, 5, 0, hAB, HRR_INT__n_s_h_s, HRR_INT__m_s_h_s, HRR_INT__m_p_h_s);
1242
1243 // form INT__m_p_i_s
1244 ostei_general_hrr_J(9, 1, 6, 0, hAB, HRR_INT__n_s_i_s, HRR_INT__m_s_i_s, HRR_INT__m_p_i_s);
1245
1246 // form INT__m_p_k_s
1247 ostei_general_hrr_J(9, 1, 7, 0, hAB, HRR_INT__n_s_k_s, HRR_INT__m_s_k_s, HRR_INT__m_p_k_s);
1248
1249 // form INT__m_p_l_s
1250 ostei_general_hrr_J(9, 1, 8, 0, hAB, HRR_INT__n_s_l_s, HRR_INT__m_s_l_s, HRR_INT__m_p_l_s);
1251
1252 // form INT__n_p_h_s
1253 ostei_general_hrr_J(10, 1, 5, 0, hAB, HRR_INT__o_s_h_s, HRR_INT__n_s_h_s, HRR_INT__n_p_h_s);
1254
1255 // form INT__n_p_i_s
1256 ostei_general_hrr_J(10, 1, 6, 0, hAB, HRR_INT__o_s_i_s, HRR_INT__n_s_i_s, HRR_INT__n_p_i_s);
1257
1258 // form INT__n_p_k_s
1259 ostei_general_hrr_J(10, 1, 7, 0, hAB, HRR_INT__o_s_k_s, HRR_INT__n_s_k_s, HRR_INT__n_p_k_s);
1260
1261 // form INT__n_p_l_s
1262 ostei_general_hrr_J(10, 1, 8, 0, hAB, HRR_INT__o_s_l_s, HRR_INT__n_s_l_s, HRR_INT__n_p_l_s);
1263
1264 // form INT__k_d_h_s
1265 ostei_general_hrr_J(7, 2, 5, 0, hAB, HRR_INT__l_p_h_s, HRR_INT__k_p_h_s, HRR_INT__k_d_h_s);
1266
1267 // form INT__k_d_i_s
1268 ostei_general_hrr_J(7, 2, 6, 0, hAB, HRR_INT__l_p_i_s, HRR_INT__k_p_i_s, HRR_INT__k_d_i_s);
1269
1270 // form INT__k_d_k_s
1271 ostei_general_hrr_J(7, 2, 7, 0, hAB, HRR_INT__l_p_k_s, HRR_INT__k_p_k_s, HRR_INT__k_d_k_s);
1272
1273 // form INT__k_d_l_s
1274 ostei_general_hrr_J(7, 2, 8, 0, hAB, HRR_INT__l_p_l_s, HRR_INT__k_p_l_s, HRR_INT__k_d_l_s);
1275
1276 // form INT__l_d_h_s
1277 ostei_general_hrr_J(8, 2, 5, 0, hAB, HRR_INT__m_p_h_s, HRR_INT__l_p_h_s, HRR_INT__l_d_h_s);
1278
1279 // form INT__l_d_i_s
1280 ostei_general_hrr_J(8, 2, 6, 0, hAB, HRR_INT__m_p_i_s, HRR_INT__l_p_i_s, HRR_INT__l_d_i_s);
1281
1282 // form INT__l_d_k_s
1283 ostei_general_hrr_J(8, 2, 7, 0, hAB, HRR_INT__m_p_k_s, HRR_INT__l_p_k_s, HRR_INT__l_d_k_s);
1284
1285 // form INT__l_d_l_s
1286 ostei_general_hrr_J(8, 2, 8, 0, hAB, HRR_INT__m_p_l_s, HRR_INT__l_p_l_s, HRR_INT__l_d_l_s);
1287
1288 // form INT__m_d_h_s
1289 ostei_general_hrr_J(9, 2, 5, 0, hAB, HRR_INT__n_p_h_s, HRR_INT__m_p_h_s, HRR_INT__m_d_h_s);
1290
1291 // form INT__m_d_i_s
1292 ostei_general_hrr_J(9, 2, 6, 0, hAB, HRR_INT__n_p_i_s, HRR_INT__m_p_i_s, HRR_INT__m_d_i_s);
1293
1294 // form INT__m_d_k_s
1295 ostei_general_hrr_J(9, 2, 7, 0, hAB, HRR_INT__n_p_k_s, HRR_INT__m_p_k_s, HRR_INT__m_d_k_s);
1296
1297 // form INT__m_d_l_s
1298 ostei_general_hrr_J(9, 2, 8, 0, hAB, HRR_INT__n_p_l_s, HRR_INT__m_p_l_s, HRR_INT__m_d_l_s);
1299
1300 // form INT__k_f_h_s
1301 ostei_general_hrr_J(7, 3, 5, 0, hAB, HRR_INT__l_d_h_s, HRR_INT__k_d_h_s, HRR_INT__k_f_h_s);
1302
1303 // form INT__k_f_i_s
1304 ostei_general_hrr_J(7, 3, 6, 0, hAB, HRR_INT__l_d_i_s, HRR_INT__k_d_i_s, HRR_INT__k_f_i_s);
1305
1306 // form INT__k_f_k_s
1307 ostei_general_hrr_J(7, 3, 7, 0, hAB, HRR_INT__l_d_k_s, HRR_INT__k_d_k_s, HRR_INT__k_f_k_s);
1308
1309 // form INT__k_f_l_s
1310 ostei_general_hrr_J(7, 3, 8, 0, hAB, HRR_INT__l_d_l_s, HRR_INT__k_d_l_s, HRR_INT__k_f_l_s);
1311
1312 // form INT__l_f_h_s
1313 ostei_general_hrr_J(8, 3, 5, 0, hAB, HRR_INT__m_d_h_s, HRR_INT__l_d_h_s, HRR_INT__l_f_h_s);
1314
1315 // form INT__l_f_i_s
1316 ostei_general_hrr_J(8, 3, 6, 0, hAB, HRR_INT__m_d_i_s, HRR_INT__l_d_i_s, HRR_INT__l_f_i_s);
1317
1318 // form INT__l_f_k_s
1319 ostei_general_hrr_J(8, 3, 7, 0, hAB, HRR_INT__m_d_k_s, HRR_INT__l_d_k_s, HRR_INT__l_f_k_s);
1320
1321 // form INT__l_f_l_s
1322 ostei_general_hrr_J(8, 3, 8, 0, hAB, HRR_INT__m_d_l_s, HRR_INT__l_d_l_s, HRR_INT__l_f_l_s);
1323
1324 // form INT__k_g_h_s
1325 ostei_general_hrr_J(7, 4, 5, 0, hAB, HRR_INT__l_f_h_s, HRR_INT__k_f_h_s, HRR_INT__k_g_h_s);
1326
1327 // form INT__k_g_i_s
1328 ostei_general_hrr_J(7, 4, 6, 0, hAB, HRR_INT__l_f_i_s, HRR_INT__k_f_i_s, HRR_INT__k_g_i_s);
1329
1330 // form INT__k_g_k_s
1331 ostei_general_hrr_J(7, 4, 7, 0, hAB, HRR_INT__l_f_k_s, HRR_INT__k_f_k_s, HRR_INT__k_g_k_s);
1332
1333 // form INT__k_g_l_s
1334 ostei_general_hrr_J(7, 4, 8, 0, hAB, HRR_INT__l_f_l_s, HRR_INT__k_f_l_s, HRR_INT__k_g_l_s);
1335
1336 // form INT__k_g_h_p
1337 ostei_general_hrr_L(7, 4, 5, 1, hCD, HRR_INT__k_g_i_s, HRR_INT__k_g_h_s, HRR_INT__k_g_h_p);
1338
1339 // form INT__k_g_i_p
1340 ostei_general_hrr_L(7, 4, 6, 1, hCD, HRR_INT__k_g_k_s, HRR_INT__k_g_i_s, HRR_INT__k_g_i_p);
1341
1342 // form INT__k_g_k_p
1343 ostei_general_hrr_L(7, 4, 7, 1, hCD, HRR_INT__k_g_l_s, HRR_INT__k_g_k_s, HRR_INT__k_g_k_p);
1344
1345 // form INT__k_g_h_d
1346 ostei_general_hrr_L(7, 4, 5, 2, hCD, HRR_INT__k_g_i_p, HRR_INT__k_g_h_p, HRR_INT__k_g_h_d);
1347
1348 // form INT__k_g_i_d
1349 ostei_general_hrr_L(7, 4, 6, 2, hCD, HRR_INT__k_g_k_p, HRR_INT__k_g_i_p, HRR_INT__k_g_i_d);
1350
1351 // form INT__k_g_h_f
1352 ostei_general_hrr_L(7, 4, 5, 3, hCD, HRR_INT__k_g_i_d, HRR_INT__k_g_h_d, HRR_INT__k_g_h_f);
1353
1354
1355 } // close HRR loop
1356
1357
1358 } // close loop cdbatch
1359
1360 istart = iend;
1361 } // close loop over ab
1362
1363 return P.nshell12_clip * Q.nshell12_clip;
1364 }
1365
ostei_g_k_h_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_k_h_f)1366 int ostei_g_k_h_f(struct simint_multi_shellpair const P,
1367 struct simint_multi_shellpair const Q,
1368 double screen_tol,
1369 double * const restrict work,
1370 double * const restrict INT__g_k_h_f)
1371 {
1372 double P_AB[3*P.nshell12];
1373 struct simint_multi_shellpair P_tmp = P;
1374 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1375 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1376 P_tmp.AB_x = P_AB;
1377 P_tmp.AB_y = P_AB + P.nshell12;
1378 P_tmp.AB_z = P_AB + 2*P.nshell12;
1379
1380 for(int i = 0; i < P.nshell12; i++)
1381 {
1382 P_tmp.AB_x[i] = -P.AB_x[i];
1383 P_tmp.AB_y[i] = -P.AB_y[i];
1384 P_tmp.AB_z[i] = -P.AB_z[i];
1385 }
1386
1387 int ret = ostei_k_g_h_f(P_tmp, Q, screen_tol, work, INT__g_k_h_f);
1388 double buffer[113400] SIMINT_ALIGN_ARRAY_DBL;
1389
1390 for(int q = 0; q < ret; q++)
1391 {
1392 int idx = 0;
1393 for(int a = 0; a < 15; ++a)
1394 for(int b = 0; b < 36; ++b)
1395 for(int c = 0; c < 21; ++c)
1396 for(int d = 0; d < 10; ++d)
1397 buffer[idx++] = INT__g_k_h_f[q*113400+b*3150+a*210+c*10+d];
1398
1399 memcpy(INT__g_k_h_f+q*113400, buffer, 113400*sizeof(double));
1400 }
1401
1402 return ret;
1403 }
1404
ostei_k_g_f_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_g_f_h)1405 int ostei_k_g_f_h(struct simint_multi_shellpair const P,
1406 struct simint_multi_shellpair const Q,
1407 double screen_tol,
1408 double * const restrict work,
1409 double * const restrict INT__k_g_f_h)
1410 {
1411 double Q_AB[3*Q.nshell12];
1412 struct simint_multi_shellpair Q_tmp = Q;
1413 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1414 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1415 Q_tmp.AB_x = Q_AB;
1416 Q_tmp.AB_y = Q_AB + Q.nshell12;
1417 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1418
1419 for(int i = 0; i < Q.nshell12; i++)
1420 {
1421 Q_tmp.AB_x[i] = -Q.AB_x[i];
1422 Q_tmp.AB_y[i] = -Q.AB_y[i];
1423 Q_tmp.AB_z[i] = -Q.AB_z[i];
1424 }
1425
1426 int ret = ostei_k_g_h_f(P, Q_tmp, screen_tol, work, INT__k_g_f_h);
1427 double buffer[113400] SIMINT_ALIGN_ARRAY_DBL;
1428
1429 for(int q = 0; q < ret; q++)
1430 {
1431 int idx = 0;
1432 for(int a = 0; a < 36; ++a)
1433 for(int b = 0; b < 15; ++b)
1434 for(int c = 0; c < 10; ++c)
1435 for(int d = 0; d < 21; ++d)
1436 buffer[idx++] = INT__k_g_f_h[q*113400+a*3150+b*210+d*10+c];
1437
1438 memcpy(INT__k_g_f_h+q*113400, buffer, 113400*sizeof(double));
1439 }
1440
1441 return ret;
1442 }
1443
ostei_g_k_f_h(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__g_k_f_h)1444 int ostei_g_k_f_h(struct simint_multi_shellpair const P,
1445 struct simint_multi_shellpair const Q,
1446 double screen_tol,
1447 double * const restrict work,
1448 double * const restrict INT__g_k_f_h)
1449 {
1450 double P_AB[3*P.nshell12];
1451 struct simint_multi_shellpair P_tmp = P;
1452 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
1453 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
1454 P_tmp.AB_x = P_AB;
1455 P_tmp.AB_y = P_AB + P.nshell12;
1456 P_tmp.AB_z = P_AB + 2*P.nshell12;
1457
1458 for(int i = 0; i < P.nshell12; i++)
1459 {
1460 P_tmp.AB_x[i] = -P.AB_x[i];
1461 P_tmp.AB_y[i] = -P.AB_y[i];
1462 P_tmp.AB_z[i] = -P.AB_z[i];
1463 }
1464
1465 double Q_AB[3*Q.nshell12];
1466 struct simint_multi_shellpair Q_tmp = Q;
1467 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
1468 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
1469 Q_tmp.AB_x = Q_AB;
1470 Q_tmp.AB_y = Q_AB + Q.nshell12;
1471 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
1472
1473 for(int i = 0; i < Q.nshell12; i++)
1474 {
1475 Q_tmp.AB_x[i] = -Q.AB_x[i];
1476 Q_tmp.AB_y[i] = -Q.AB_y[i];
1477 Q_tmp.AB_z[i] = -Q.AB_z[i];
1478 }
1479
1480 int ret = ostei_k_g_h_f(P_tmp, Q_tmp, screen_tol, work, INT__g_k_f_h);
1481 double buffer[113400] SIMINT_ALIGN_ARRAY_DBL;
1482
1483 for(int q = 0; q < ret; q++)
1484 {
1485 int idx = 0;
1486 for(int a = 0; a < 15; ++a)
1487 for(int b = 0; b < 36; ++b)
1488 for(int c = 0; c < 10; ++c)
1489 for(int d = 0; d < 21; ++d)
1490 buffer[idx++] = INT__g_k_f_h[q*113400+b*3150+a*210+d*10+c];
1491
1492 memcpy(INT__g_k_f_h+q*113400, buffer, 113400*sizeof(double));
1493 }
1494
1495 return ret;
1496 }
1497
1498