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_f_p_g_s(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_p_g_s)8 int ostei_f_p_g_s(struct simint_multi_shellpair const P,
9 struct simint_multi_shellpair const Q,
10 double screen_tol,
11 double * const restrict work,
12 double * const restrict INT__f_p_g_s)
13 {
14
15 SIMINT_ASSUME_ALIGN_DBL(work);
16 SIMINT_ASSUME_ALIGN_DBL(INT__f_p_g_s);
17 int ab, cd, abcd;
18 int istart, jstart;
19 int iprimcd, nprim_icd, icd;
20 const int check_screen = (screen_tol > 0.0);
21 int i, j;
22 int n;
23 int not_screened;
24 int real_abcd;
25 int iket;
26
27 // partition workspace
28 double * const INT__f_s_g_s = work + (SIMINT_NSHELL_SIMD * 0);
29 double * const INT__g_s_g_s = work + (SIMINT_NSHELL_SIMD * 150);
30 SIMINT_DBLTYPE * const primwork = (SIMINT_DBLTYPE *)(work + SIMINT_NSHELL_SIMD*375);
31 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_s_s = primwork + 0;
32 SIMINT_DBLTYPE * const restrict PRIM_INT__s_s_p_s = primwork + 9;
33 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_s_s = primwork + 21;
34 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_p_s = primwork + 45;
35 SIMINT_DBLTYPE * const restrict PRIM_INT__p_s_d_s = primwork + 81;
36 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_s_s = primwork + 135;
37 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_p_s = primwork + 177;
38 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_d_s = primwork + 249;
39 SIMINT_DBLTYPE * const restrict PRIM_INT__d_s_f_s = primwork + 357;
40 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_s_s = primwork + 477;
41 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_p_s = primwork + 537;
42 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_d_s = primwork + 657;
43 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_f_s = primwork + 837;
44 SIMINT_DBLTYPE * const restrict PRIM_INT__f_s_g_s = primwork + 1037;
45 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_s_s = primwork + 1187;
46 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_p_s = primwork + 1262;
47 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_d_s = primwork + 1442;
48 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_f_s = primwork + 1712;
49 SIMINT_DBLTYPE * const restrict PRIM_INT__g_s_g_s = primwork + 2012;
50 double * const hrrwork = (double *)(primwork + 2237);
51
52
53 // Create constants
54 const SIMINT_DBLTYPE const_1 = SIMINT_DBLSET1(1);
55 const SIMINT_DBLTYPE const_2 = SIMINT_DBLSET1(2);
56 const SIMINT_DBLTYPE const_3 = SIMINT_DBLSET1(3);
57 const SIMINT_DBLTYPE const_4 = SIMINT_DBLSET1(4);
58 const SIMINT_DBLTYPE one_half = SIMINT_DBLSET1(0.5);
59
60
61 ////////////////////////////////////////
62 // Loop over shells and primitives
63 ////////////////////////////////////////
64
65 real_abcd = 0;
66 istart = 0;
67 for(ab = 0; ab < P.nshell12_clip; ++ab)
68 {
69 const int iend = istart + P.nprim12[ab];
70
71 cd = 0;
72 jstart = 0;
73
74 for(cd = 0; cd < Q.nshell12_clip; cd += SIMINT_NSHELL_SIMD)
75 {
76 const int nshellbatch = ((cd + SIMINT_NSHELL_SIMD) > Q.nshell12_clip) ? Q.nshell12_clip - cd : SIMINT_NSHELL_SIMD;
77 int jend = jstart;
78 for(i = 0; i < nshellbatch; i++)
79 jend += Q.nprim12[cd+i];
80
81 // Clear the beginning of the workspace (where we are accumulating integrals)
82 memset(work, 0, SIMINT_NSHELL_SIMD * 375 * sizeof(double));
83 abcd = 0;
84
85
86 for(i = istart; i < iend; ++i)
87 {
88 SIMINT_DBLTYPE bra_screen_max; // only used if check_screen
89
90 if(check_screen)
91 {
92 // Skip this whole thing if always insignificant
93 if((P.screen[i] * Q.screen_max) < screen_tol)
94 continue;
95 bra_screen_max = SIMINT_DBLSET1(P.screen[i]);
96 }
97
98 icd = 0;
99 iprimcd = 0;
100 nprim_icd = Q.nprim12[cd];
101 double * restrict PRIM_PTR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
102 double * restrict PRIM_PTR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
103
104
105
106 // Load these one per loop over i
107 const SIMINT_DBLTYPE P_alpha = SIMINT_DBLSET1(P.alpha[i]);
108 const SIMINT_DBLTYPE P_prefac = SIMINT_DBLSET1(P.prefac[i]);
109 const SIMINT_DBLTYPE Pxyz[3] = { SIMINT_DBLSET1(P.x[i]), SIMINT_DBLSET1(P.y[i]), SIMINT_DBLSET1(P.z[i]) };
110
111 const SIMINT_DBLTYPE P_PA[3] = { SIMINT_DBLSET1(P.PA_x[i]), SIMINT_DBLSET1(P.PA_y[i]), SIMINT_DBLSET1(P.PA_z[i]) };
112
113 for(j = jstart; j < jend; j += SIMINT_SIMD_LEN)
114 {
115 // calculate the shell offsets
116 // these are the offset from the shell pointed to by cd
117 // for each element
118 int shelloffsets[SIMINT_SIMD_LEN] = {0};
119 int lastoffset = 0;
120 const int nlane = ( ((j + SIMINT_SIMD_LEN) < jend) ? SIMINT_SIMD_LEN : (jend - j));
121
122 if((iprimcd + SIMINT_SIMD_LEN) >= nprim_icd)
123 {
124 // Handle if the first element of the vector is a new shell
125 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
126 {
127 nprim_icd += Q.nprim12[cd + (++icd)];
128 PRIM_PTR_INT__f_s_g_s += 150;
129 PRIM_PTR_INT__g_s_g_s += 225;
130 }
131 iprimcd++;
132 for(n = 1; n < SIMINT_SIMD_LEN; ++n)
133 {
134 if(iprimcd >= nprim_icd && ((icd+1) < nshellbatch))
135 {
136 shelloffsets[n] = shelloffsets[n-1] + 1;
137 lastoffset++;
138 nprim_icd += Q.nprim12[cd + (++icd)];
139 }
140 else
141 shelloffsets[n] = shelloffsets[n-1];
142 iprimcd++;
143 }
144 }
145 else
146 iprimcd += SIMINT_SIMD_LEN;
147
148 // Do we have to compute this vector (or has it been screened out)?
149 // (not_screened != 0 means we have to do this vector)
150 if(check_screen)
151 {
152 const double vmax = vector_max(SIMINT_MUL(bra_screen_max, SIMINT_DBLLOAD(Q.screen, j)));
153 if(vmax < screen_tol)
154 {
155 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
156 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
157 continue;
158 }
159 }
160
161 const SIMINT_DBLTYPE Q_alpha = SIMINT_DBLLOAD(Q.alpha, j);
162 const SIMINT_DBLTYPE PQalpha_mul = SIMINT_MUL(P_alpha, Q_alpha);
163 const SIMINT_DBLTYPE PQalpha_sum = SIMINT_ADD(P_alpha, Q_alpha);
164 const SIMINT_DBLTYPE one_over_PQalpha_sum = SIMINT_DIV(const_1, PQalpha_sum);
165
166
167 /* construct R2 = (Px - Qx)**2 + (Py - Qy)**2 + (Pz -Qz)**2 */
168 SIMINT_DBLTYPE PQ[3];
169 PQ[0] = SIMINT_SUB(Pxyz[0], SIMINT_DBLLOAD(Q.x, j));
170 PQ[1] = SIMINT_SUB(Pxyz[1], SIMINT_DBLLOAD(Q.y, j));
171 PQ[2] = SIMINT_SUB(Pxyz[2], SIMINT_DBLLOAD(Q.z, j));
172 SIMINT_DBLTYPE R2 = SIMINT_MUL(PQ[0], PQ[0]);
173 R2 = SIMINT_FMADD(PQ[1], PQ[1], R2);
174 R2 = SIMINT_FMADD(PQ[2], PQ[2], R2);
175
176 const SIMINT_DBLTYPE alpha = SIMINT_MUL(PQalpha_mul, one_over_PQalpha_sum); // alpha from MEST
177 const SIMINT_DBLTYPE one_over_p = SIMINT_DIV(const_1, P_alpha);
178 const SIMINT_DBLTYPE one_over_q = SIMINT_DIV(const_1, Q_alpha);
179 const SIMINT_DBLTYPE one_over_2p = SIMINT_MUL(one_half, one_over_p);
180 const SIMINT_DBLTYPE one_over_2q = SIMINT_MUL(one_half, one_over_q);
181 const SIMINT_DBLTYPE one_over_2pq = SIMINT_MUL(one_half, one_over_PQalpha_sum);
182 const SIMINT_DBLTYPE Q_PA[3] = { SIMINT_DBLLOAD(Q.PA_x, j), SIMINT_DBLLOAD(Q.PA_y, j), SIMINT_DBLLOAD(Q.PA_z, j) };
183
184 // NOTE: Minus sign!
185 const SIMINT_DBLTYPE a_over_p = SIMINT_MUL(SIMINT_NEG(alpha), one_over_p);
186 SIMINT_DBLTYPE aop_PQ[3];
187 aop_PQ[0] = SIMINT_MUL(a_over_p, PQ[0]);
188 aop_PQ[1] = SIMINT_MUL(a_over_p, PQ[1]);
189 aop_PQ[2] = SIMINT_MUL(a_over_p, PQ[2]);
190
191 SIMINT_DBLTYPE a_over_q = SIMINT_MUL(alpha, one_over_q);
192 SIMINT_DBLTYPE aoq_PQ[3];
193 aoq_PQ[0] = SIMINT_MUL(a_over_q, PQ[0]);
194 aoq_PQ[1] = SIMINT_MUL(a_over_q, PQ[1]);
195 aoq_PQ[2] = SIMINT_MUL(a_over_q, PQ[2]);
196 // Put a minus sign here so we don't have to in RR routines
197 a_over_q = SIMINT_NEG(a_over_q);
198
199
200 //////////////////////////////////////////////
201 // Fjt function section
202 // Maximum v value: 8
203 //////////////////////////////////////////////
204 // The parameter to the Fjt function
205 const SIMINT_DBLTYPE F_x = SIMINT_MUL(R2, alpha);
206
207
208 const SIMINT_DBLTYPE Q_prefac = mask_load(nlane, Q.prefac + j);
209
210
211 boys_F_split(PRIM_INT__s_s_s_s, F_x, 8);
212 SIMINT_DBLTYPE prefac = SIMINT_SQRT(one_over_PQalpha_sum);
213 prefac = SIMINT_MUL(SIMINT_MUL(P_prefac, Q_prefac), prefac);
214 for(n = 0; n <= 8; n++)
215 PRIM_INT__s_s_s_s[n] = SIMINT_MUL(PRIM_INT__s_s_s_s[n], prefac);
216
217 //////////////////////////////////////////////
218 // Primitive integrals: Vertical recurrance
219 //////////////////////////////////////////////
220
221 const SIMINT_DBLTYPE vrr_const_1_over_2p = one_over_2p;
222 const SIMINT_DBLTYPE vrr_const_2_over_2p = SIMINT_MUL(const_2, one_over_2p);
223 const SIMINT_DBLTYPE vrr_const_3_over_2p = SIMINT_MUL(const_3, one_over_2p);
224 const SIMINT_DBLTYPE vrr_const_1_over_2q = one_over_2q;
225 const SIMINT_DBLTYPE vrr_const_2_over_2q = SIMINT_MUL(const_2, one_over_2q);
226 const SIMINT_DBLTYPE vrr_const_3_over_2q = SIMINT_MUL(const_3, one_over_2q);
227 const SIMINT_DBLTYPE vrr_const_1_over_2pq = one_over_2pq;
228 const SIMINT_DBLTYPE vrr_const_2_over_2pq = SIMINT_MUL(const_2, one_over_2pq);
229 const SIMINT_DBLTYPE vrr_const_3_over_2pq = SIMINT_MUL(const_3, one_over_2pq);
230 const SIMINT_DBLTYPE vrr_const_4_over_2pq = SIMINT_MUL(const_4, one_over_2pq);
231
232
233
234 // Forming PRIM_INT__p_s_s_s[8 * 3];
235 for(n = 0; n < 8; ++n) // loop over orders of auxiliary function
236 {
237
238 PRIM_INT__p_s_s_s[n * 3 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
239 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]);
240
241 PRIM_INT__p_s_s_s[n * 3 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
242 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]);
243
244 PRIM_INT__p_s_s_s[n * 3 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
245 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]);
246
247 }
248
249
250
251 // Forming PRIM_INT__d_s_s_s[7 * 6];
252 for(n = 0; n < 7; ++n) // loop over orders of auxiliary function
253 {
254
255 PRIM_INT__d_s_s_s[n * 6 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
256 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]);
257 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]);
258
259 PRIM_INT__d_s_s_s[n * 6 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
260 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]);
261
262 PRIM_INT__d_s_s_s[n * 6 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
263 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]);
264
265 PRIM_INT__d_s_s_s[n * 6 + 3] = SIMINT_MUL(P_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
266 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]);
267 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]);
268
269 PRIM_INT__d_s_s_s[n * 6 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
270 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]);
271
272 PRIM_INT__d_s_s_s[n * 6 + 5] = SIMINT_MUL(P_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
273 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]);
274 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]);
275
276 }
277
278
279
280 // Forming PRIM_INT__f_s_s_s[6 * 10];
281 for(n = 0; n < 6; ++n) // loop over orders of auxiliary function
282 {
283
284 PRIM_INT__f_s_s_s[n * 10 + 0] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
285 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]);
286 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]);
287
288 PRIM_INT__f_s_s_s[n * 10 + 1] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
289 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]);
290
291 PRIM_INT__f_s_s_s[n * 10 + 2] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
292 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]);
293
294 PRIM_INT__f_s_s_s[n * 10 + 3] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
295 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]);
296
297 PRIM_INT__f_s_s_s[n * 10 + 4] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
298 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]);
299
300 PRIM_INT__f_s_s_s[n * 10 + 5] = SIMINT_MUL(P_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
301 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]);
302
303 PRIM_INT__f_s_s_s[n * 10 + 6] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
304 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]);
305 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]);
306
307 PRIM_INT__f_s_s_s[n * 10 + 7] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
308 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]);
309
310 PRIM_INT__f_s_s_s[n * 10 + 8] = SIMINT_MUL(P_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
311 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]);
312
313 PRIM_INT__f_s_s_s[n * 10 + 9] = SIMINT_MUL(P_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
314 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]);
315 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]);
316
317 }
318
319
320 VRR_K_f_s_p_s(
321 PRIM_INT__f_s_p_s,
322 PRIM_INT__f_s_s_s,
323 PRIM_INT__d_s_s_s,
324 Q_PA,
325 aoq_PQ,
326 one_over_2pq,
327 4);
328
329
330
331 // Forming PRIM_INT__d_s_p_s[4 * 18];
332 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
333 {
334
335 PRIM_INT__d_s_p_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 0]);
336 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]);
337 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]);
338
339 PRIM_INT__d_s_p_s[n * 18 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 0]);
340 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]);
341
342 PRIM_INT__d_s_p_s[n * 18 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 0]);
343 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]);
344
345 PRIM_INT__d_s_p_s[n * 18 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 1]);
346 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]);
347 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]);
348
349 PRIM_INT__d_s_p_s[n * 18 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 1]);
350 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]);
351 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]);
352
353 PRIM_INT__d_s_p_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 1]);
354 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]);
355
356 PRIM_INT__d_s_p_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 2]);
357 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]);
358 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]);
359
360 PRIM_INT__d_s_p_s[n * 18 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 2]);
361 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]);
362
363 PRIM_INT__d_s_p_s[n * 18 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 2]);
364 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]);
365 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]);
366
367 PRIM_INT__d_s_p_s[n * 18 + 9] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 3]);
368 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]);
369
370 PRIM_INT__d_s_p_s[n * 18 + 10] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 3]);
371 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]);
372 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]);
373
374 PRIM_INT__d_s_p_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 3]);
375 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]);
376
377 PRIM_INT__d_s_p_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 4]);
378 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]);
379
380 PRIM_INT__d_s_p_s[n * 18 + 13] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 4]);
381 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]);
382 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]);
383
384 PRIM_INT__d_s_p_s[n * 18 + 14] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 4]);
385 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]);
386 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]);
387
388 PRIM_INT__d_s_p_s[n * 18 + 15] = SIMINT_MUL(Q_PA[0], PRIM_INT__d_s_s_s[n * 6 + 5]);
389 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]);
390
391 PRIM_INT__d_s_p_s[n * 18 + 16] = SIMINT_MUL(Q_PA[1], PRIM_INT__d_s_s_s[n * 6 + 5]);
392 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]);
393
394 PRIM_INT__d_s_p_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__d_s_s_s[n * 6 + 5]);
395 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]);
396 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]);
397
398 }
399
400
401 VRR_K_f_s_d_s(
402 PRIM_INT__f_s_d_s,
403 PRIM_INT__f_s_p_s,
404 PRIM_INT__f_s_s_s,
405 PRIM_INT__d_s_p_s,
406 Q_PA,
407 a_over_q,
408 aoq_PQ,
409 one_over_2pq,
410 one_over_2q,
411 3);
412
413
414
415 // Forming PRIM_INT__p_s_p_s[4 * 9];
416 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
417 {
418
419 PRIM_INT__p_s_p_s[n * 9 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 0]);
420 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]);
421 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]);
422
423 PRIM_INT__p_s_p_s[n * 9 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 0]);
424 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]);
425
426 PRIM_INT__p_s_p_s[n * 9 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 0]);
427 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]);
428
429 PRIM_INT__p_s_p_s[n * 9 + 3] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 1]);
430 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]);
431
432 PRIM_INT__p_s_p_s[n * 9 + 4] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 1]);
433 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]);
434 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]);
435
436 PRIM_INT__p_s_p_s[n * 9 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 1]);
437 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]);
438
439 PRIM_INT__p_s_p_s[n * 9 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_s_s[n * 3 + 2]);
440 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]);
441
442 PRIM_INT__p_s_p_s[n * 9 + 7] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_s_s[n * 3 + 2]);
443 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]);
444
445 PRIM_INT__p_s_p_s[n * 9 + 8] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_s_s[n * 3 + 2]);
446 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]);
447 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]);
448
449 }
450
451
452 VRR_K_d_s_d_s(
453 PRIM_INT__d_s_d_s,
454 PRIM_INT__d_s_p_s,
455 PRIM_INT__d_s_s_s,
456 PRIM_INT__p_s_p_s,
457 Q_PA,
458 a_over_q,
459 aoq_PQ,
460 one_over_2pq,
461 one_over_2q,
462 3);
463
464
465 ostei_general_vrr_K(3, 0, 3, 0, 2,
466 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
467 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);
468
469
470
471 // Forming PRIM_INT__s_s_p_s[4 * 3];
472 for(n = 0; n < 4; ++n) // loop over orders of auxiliary function
473 {
474
475 PRIM_INT__s_s_p_s[n * 3 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__s_s_s_s[n * 1 + 0]);
476 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]);
477
478 PRIM_INT__s_s_p_s[n * 3 + 1] = SIMINT_MUL(Q_PA[1], PRIM_INT__s_s_s_s[n * 1 + 0]);
479 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]);
480
481 PRIM_INT__s_s_p_s[n * 3 + 2] = SIMINT_MUL(Q_PA[2], PRIM_INT__s_s_s_s[n * 1 + 0]);
482 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]);
483
484 }
485
486
487
488 // Forming PRIM_INT__p_s_d_s[3 * 18];
489 for(n = 0; n < 3; ++n) // loop over orders of auxiliary function
490 {
491
492 PRIM_INT__p_s_d_s[n * 18 + 0] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 0]);
493 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]);
494 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]);
495 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]);
496
497 PRIM_INT__p_s_d_s[n * 18 + 3] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 1]);
498 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]);
499 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]);
500
501 PRIM_INT__p_s_d_s[n * 18 + 5] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 2]);
502 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]);
503 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]);
504
505 PRIM_INT__p_s_d_s[n * 18 + 6] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 3]);
506 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]);
507 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]);
508
509 PRIM_INT__p_s_d_s[n * 18 + 9] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 4]);
510 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]);
511 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]);
512 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]);
513
514 PRIM_INT__p_s_d_s[n * 18 + 11] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 5]);
515 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]);
516 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]);
517
518 PRIM_INT__p_s_d_s[n * 18 + 12] = SIMINT_MUL(Q_PA[0], PRIM_INT__p_s_p_s[n * 9 + 6]);
519 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]);
520 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]);
521
522 PRIM_INT__p_s_d_s[n * 18 + 15] = SIMINT_MUL(Q_PA[1], PRIM_INT__p_s_p_s[n * 9 + 7]);
523 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]);
524 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]);
525
526 PRIM_INT__p_s_d_s[n * 18 + 17] = SIMINT_MUL(Q_PA[2], PRIM_INT__p_s_p_s[n * 9 + 8]);
527 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]);
528 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]);
529 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]);
530
531 }
532
533
534 VRR_K_d_s_f_s(
535 PRIM_INT__d_s_f_s,
536 PRIM_INT__d_s_d_s,
537 PRIM_INT__d_s_p_s,
538 PRIM_INT__p_s_d_s,
539 Q_PA,
540 a_over_q,
541 aoq_PQ,
542 one_over_2pq,
543 one_over_2q,
544 2);
545
546
547 ostei_general_vrr_K(3, 0, 4, 0, 1,
548 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
549 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);
550
551
552 VRR_I_g_s_s_s(
553 PRIM_INT__g_s_s_s,
554 PRIM_INT__f_s_s_s,
555 PRIM_INT__d_s_s_s,
556 P_PA,
557 a_over_p,
558 aop_PQ,
559 one_over_2p,
560 5);
561
562
563 VRR_K_g_s_p_s(
564 PRIM_INT__g_s_p_s,
565 PRIM_INT__g_s_s_s,
566 PRIM_INT__f_s_s_s,
567 Q_PA,
568 aoq_PQ,
569 one_over_2pq,
570 4);
571
572
573 ostei_general_vrr_K(4, 0, 2, 0, 3,
574 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
575 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);
576
577
578 ostei_general_vrr_K(4, 0, 3, 0, 2,
579 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
580 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);
581
582
583 ostei_general_vrr_K(4, 0, 4, 0, 1,
584 one_over_2q, a_over_q, one_over_2pq, aoq_PQ, Q_PA,
585 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);
586
587
588
589
590 ////////////////////////////////////
591 // Accumulate contracted integrals
592 ////////////////////////////////////
593 if(lastoffset == 0)
594 {
595 contract_all(150, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
596 contract_all(225, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
597 }
598 else
599 {
600 contract(150, shelloffsets, PRIM_INT__f_s_g_s, PRIM_PTR_INT__f_s_g_s);
601 contract(225, shelloffsets, PRIM_INT__g_s_g_s, PRIM_PTR_INT__g_s_g_s);
602 PRIM_PTR_INT__f_s_g_s += lastoffset*150;
603 PRIM_PTR_INT__g_s_g_s += lastoffset*225;
604 }
605
606 } // close loop over j
607 } // close loop over i
608
609 //Advance to the next batch
610 jstart = SIMINT_SIMD_ROUND(jend);
611
612 //////////////////////////////////////////////
613 // Contracted integrals: Horizontal recurrance
614 //////////////////////////////////////////////
615
616
617 const double hAB[3] = { P.AB_x[ab], P.AB_y[ab], P.AB_z[ab] };
618
619
620 for(abcd = 0; abcd < nshellbatch; ++abcd, ++real_abcd)
621 {
622
623 // set up HRR pointers
624 double const * restrict HRR_INT__f_s_g_s = INT__f_s_g_s + abcd * 150;
625 double const * restrict HRR_INT__g_s_g_s = INT__g_s_g_s + abcd * 225;
626 double * restrict HRR_INT__f_p_g_s = INT__f_p_g_s + real_abcd * 450;
627
628 // form INT__f_p_g_s
629 HRR_J_f_p(
630 HRR_INT__f_p_g_s,
631 HRR_INT__f_s_g_s,
632 HRR_INT__g_s_g_s,
633 hAB, 15);
634
635
636 } // close HRR loop
637
638
639 } // close loop cdbatch
640
641 istart = iend;
642 } // close loop over ab
643
644 return P.nshell12_clip * Q.nshell12_clip;
645 }
646
ostei_p_f_g_s(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__p_f_g_s)647 int ostei_p_f_g_s(struct simint_multi_shellpair const P,
648 struct simint_multi_shellpair const Q,
649 double screen_tol,
650 double * const restrict work,
651 double * const restrict INT__p_f_g_s)
652 {
653 double P_AB[3*P.nshell12];
654 struct simint_multi_shellpair P_tmp = P;
655 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
656 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
657 P_tmp.AB_x = P_AB;
658 P_tmp.AB_y = P_AB + P.nshell12;
659 P_tmp.AB_z = P_AB + 2*P.nshell12;
660
661 for(int i = 0; i < P.nshell12; i++)
662 {
663 P_tmp.AB_x[i] = -P.AB_x[i];
664 P_tmp.AB_y[i] = -P.AB_y[i];
665 P_tmp.AB_z[i] = -P.AB_z[i];
666 }
667
668 int ret = ostei_f_p_g_s(P_tmp, Q, screen_tol, work, INT__p_f_g_s);
669 double buffer[450] SIMINT_ALIGN_ARRAY_DBL;
670
671 for(int q = 0; q < ret; q++)
672 {
673 int idx = 0;
674 for(int a = 0; a < 3; ++a)
675 for(int b = 0; b < 10; ++b)
676 for(int c = 0; c < 15; ++c)
677 for(int d = 0; d < 1; ++d)
678 buffer[idx++] = INT__p_f_g_s[q*450+b*45+a*15+c*1+d];
679
680 memcpy(INT__p_f_g_s+q*450, buffer, 450*sizeof(double));
681 }
682
683 return ret;
684 }
685
ostei_f_p_s_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__f_p_s_g)686 int ostei_f_p_s_g(struct simint_multi_shellpair const P,
687 struct simint_multi_shellpair const Q,
688 double screen_tol,
689 double * const restrict work,
690 double * const restrict INT__f_p_s_g)
691 {
692 double Q_AB[3*Q.nshell12];
693 struct simint_multi_shellpair Q_tmp = Q;
694 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
695 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
696 Q_tmp.AB_x = Q_AB;
697 Q_tmp.AB_y = Q_AB + Q.nshell12;
698 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
699
700 for(int i = 0; i < Q.nshell12; i++)
701 {
702 Q_tmp.AB_x[i] = -Q.AB_x[i];
703 Q_tmp.AB_y[i] = -Q.AB_y[i];
704 Q_tmp.AB_z[i] = -Q.AB_z[i];
705 }
706
707 int ret = ostei_f_p_g_s(P, Q_tmp, screen_tol, work, INT__f_p_s_g);
708 double buffer[450] SIMINT_ALIGN_ARRAY_DBL;
709
710 for(int q = 0; q < ret; q++)
711 {
712 int idx = 0;
713 for(int a = 0; a < 10; ++a)
714 for(int b = 0; b < 3; ++b)
715 for(int c = 0; c < 1; ++c)
716 for(int d = 0; d < 15; ++d)
717 buffer[idx++] = INT__f_p_s_g[q*450+a*45+b*15+d*1+c];
718
719 memcpy(INT__f_p_s_g+q*450, buffer, 450*sizeof(double));
720 }
721
722 return ret;
723 }
724
ostei_p_f_s_g(struct simint_multi_shellpair const P,struct simint_multi_shellpair const Q,double screen_tol,double * const restrict work,double * const restrict INT__p_f_s_g)725 int ostei_p_f_s_g(struct simint_multi_shellpair const P,
726 struct simint_multi_shellpair const Q,
727 double screen_tol,
728 double * const restrict work,
729 double * const restrict INT__p_f_s_g)
730 {
731 double P_AB[3*P.nshell12];
732 struct simint_multi_shellpair P_tmp = P;
733 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z;
734 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z;
735 P_tmp.AB_x = P_AB;
736 P_tmp.AB_y = P_AB + P.nshell12;
737 P_tmp.AB_z = P_AB + 2*P.nshell12;
738
739 for(int i = 0; i < P.nshell12; i++)
740 {
741 P_tmp.AB_x[i] = -P.AB_x[i];
742 P_tmp.AB_y[i] = -P.AB_y[i];
743 P_tmp.AB_z[i] = -P.AB_z[i];
744 }
745
746 double Q_AB[3*Q.nshell12];
747 struct simint_multi_shellpair Q_tmp = Q;
748 Q_tmp.PA_x = Q.PB_x; Q_tmp.PA_y = Q.PB_y; Q_tmp.PA_z = Q.PB_z;
749 Q_tmp.PB_x = Q.PA_x; Q_tmp.PB_y = Q.PA_y; Q_tmp.PB_z = Q.PA_z;
750 Q_tmp.AB_x = Q_AB;
751 Q_tmp.AB_y = Q_AB + Q.nshell12;
752 Q_tmp.AB_z = Q_AB + 2*Q.nshell12;
753
754 for(int i = 0; i < Q.nshell12; i++)
755 {
756 Q_tmp.AB_x[i] = -Q.AB_x[i];
757 Q_tmp.AB_y[i] = -Q.AB_y[i];
758 Q_tmp.AB_z[i] = -Q.AB_z[i];
759 }
760
761 int ret = ostei_f_p_g_s(P_tmp, Q_tmp, screen_tol, work, INT__p_f_s_g);
762 double buffer[450] SIMINT_ALIGN_ARRAY_DBL;
763
764 for(int q = 0; q < ret; q++)
765 {
766 int idx = 0;
767 for(int a = 0; a < 3; ++a)
768 for(int b = 0; b < 10; ++b)
769 for(int c = 0; c < 1; ++c)
770 for(int d = 0; d < 15; ++d)
771 buffer[idx++] = INT__p_f_s_g[q*450+b*45+a*15+d*1+c];
772
773 memcpy(INT__p_f_s_g+q*450, buffer, 450*sizeof(double));
774 }
775
776 return ret;
777 }
778
779