1 /*
2 This file was generated automatically with ./scripts/maple2c.pl.
3 Do not edit this file directly as it can be overwritten!!
4
5 This Source Code Form is subject to the terms of the Mozilla Public
6 License, v. 2.0. If a copy of the MPL was not distributed with this
7 file, You can obtain one at http://mozilla.org/MPL/2.0/.
8
9 Maple version : Maple 2016 (X86 64 LINUX)
10 Maple source : ./maple/lda_exc/lda_xc_zlp.mpl
11 Type of functional: lda_exc
12 */
13
14 #define maple2c_order 4
15 #define MAPLE2C_FLAGS (XC_FLAGS_I_HAVE_EXC | XC_FLAGS_I_HAVE_VXC | XC_FLAGS_I_HAVE_FXC | XC_FLAGS_I_HAVE_KXC | XC_FLAGS_I_HAVE_LXC)
16
17
18 static inline void
func_unpol(const xc_func_type * p,int order,const double * rho,double * zk,LDA_OUT_PARAMS_NO_EXC (double *))19 func_unpol(const xc_func_type *p, int order, const double *rho, double *zk, LDA_OUT_PARAMS_NO_EXC(double *))
20 {
21
22 #ifndef XC_DONT_COMPILE_EXC
23 double t1, t4, t5, t8, t9;
24
25 #ifndef XC_DONT_COMPILE_VXC
26 double t12, t14, t17, t18, t21;
27
28 #ifndef XC_DONT_COMPILE_FXC
29 double t28, t34, t35, t39, t42;
30
31 #ifndef XC_DONT_COMPILE_KXC
32 double t51, t60, t62, t66, t69;
33
34 #ifndef XC_DONT_COMPILE_LXC
35 double t80, t94;
36 #endif
37
38 #endif
39
40 #endif
41
42 #endif
43
44 #endif
45
46
47
48 t1 = POW_1_3(rho[0]);
49 t4 = 0.1e1 + 0.10555627099250339363e3 / t1;
50 t5 = log(t4);
51 t8 = 0.1e1 - 0.94736200000000000000e-2 * t5 * t1;
52 t9 = t8 * t1;
53 if(zk != NULL && (p->info->flags & XC_FLAGS_HAVE_EXC))
54 zk[0] = -0.93222000000000000000e0 * t9;
55
56 #ifndef XC_DONT_COMPILE_VXC
57
58 if(order < 1) return;
59
60
61 t12 = t1 * rho[0];
62 t14 = 0.1e1 / t4;
63 t17 = t1 * t1;
64 t18 = 0.1e1 / t17;
65 t21 = 0.33333333333333333332e0 / rho[0] * t14 - 0.31578733333333333333e-2 * t5 * t18;
66 if(vrho != NULL && (p->info->flags & XC_FLAGS_HAVE_VXC))
67 vrho[0] = -0.12429600000000000000e1 * t9 - 0.93222000000000000000e0 * t12 * t21;
68
69 #ifndef XC_DONT_COMPILE_FXC
70
71 if(order < 2) return;
72
73
74 t28 = rho[0] * rho[0];
75 t34 = t4 * t4;
76 t35 = 0.1e1 / t34;
77 t39 = 0.1e1 / t17 / rho[0];
78 t42 = -0.22222222222222222221e0 / t28 * t14 + 0.11728474554722599292e2 / t1 / t28 * t35 + 0.21052488888888888889e-2 * t5 * t39;
79 if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC))
80 v2rho2[0] = -0.24859200000000000000e1 * t21 * t1 - 0.41432000000000000000e0 * t8 * t18 - 0.93222000000000000000e0 * t12 * t42;
81
82 #ifndef XC_DONT_COMPILE_KXC
83
84 if(order < 3) return;
85
86
87 t51 = t28 * rho[0];
88 t60 = 0.1e1 / t17 / t51;
89 t62 = 0.1e1 / t34 / t4;
90 t66 = 0.1e1 / t17 / t28;
91 t69 = 0.37037037037037037035e0 / t51 * t14 - 0.35185423664167797876e2 / t1 / t51 * t35 + 0.82534269228465284243e3 * t60 * t62 - 0.35087481481481481482e-2 * t5 * t66;
92 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
93 v3rho3[0] = -0.37288800000000000000e1 * t42 * t1 - 0.12429600000000000000e1 * t21 * t18 + 0.27621333333333333333e0 * t8 * t39 - 0.93222000000000000000e0 * t12 * t69;
94
95 #ifndef XC_DONT_COMPILE_LXC
96
97 if(order < 4) return;
98
99
100 t80 = t28 * t28;
101 t94 = t34 * t34;
102 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
103 v4rho4[0] = -0.49718400000000000000e1 * t69 * t1 - 0.24859200000000000000e1 * t42 * t18 + 0.11048533333333333333e1 * t21 * t39 - 0.46035555555555555555e0 * t8 * t66 - 0.93222000000000000000e0 * t12 * (-0.98765432098765432088e0 / t80 * t14 + 0.13031638394136221436e3 / t1 / t80 * t35 - 0.55022846152310189495e4 / t17 / t80 * t62 + 0.87120096888481155292e5 / t80 / rho[0] / t94 + 0.93566617283950617285e-2 * t5 * t60);
104
105 #ifndef XC_DONT_COMPILE_MXC
106
107 if(order < 5) return;
108
109
110 #endif
111
112 #endif
113
114 #endif
115
116 #endif
117
118 #endif
119
120
121 }
122
123
124 static inline void
func_ferr(const xc_func_type * p,int order,const double * rho,double * zk,LDA_OUT_PARAMS_NO_EXC (double *))125 func_ferr(const xc_func_type *p, int order, const double *rho, double *zk, LDA_OUT_PARAMS_NO_EXC(double *))
126 {
127
128 #ifndef XC_DONT_COMPILE_EXC
129 double t1, t4, t5, t8, t9;
130
131 #ifndef XC_DONT_COMPILE_VXC
132 double t12, t14, t17, t18, t21;
133
134 #ifndef XC_DONT_COMPILE_FXC
135 double t28, t34, t35, t39, t42;
136
137 #ifndef XC_DONT_COMPILE_KXC
138 double t51, t60, t62, t66, t69;
139
140 #ifndef XC_DONT_COMPILE_LXC
141 double t80, t94;
142 #endif
143
144 #endif
145
146 #endif
147
148 #endif
149
150 #endif
151
152
153
154 t1 = POW_1_3(rho[0]);
155 t4 = 0.1e1 + 0.10555627099250339363e3 / t1;
156 t5 = log(t4);
157 t8 = 0.1e1 - 0.94736200000000000000e-2 * t5 * t1;
158 t9 = t8 * t1;
159 if(zk != NULL && (p->info->flags & XC_FLAGS_HAVE_EXC))
160 zk[0] = -0.93222000000000000000e0 * t9;
161
162 #ifndef XC_DONT_COMPILE_VXC
163
164 if(order < 1) return;
165
166
167 t12 = t1 * rho[0];
168 t14 = 0.1e1 / t4;
169 t17 = t1 * t1;
170 t18 = 0.1e1 / t17;
171 t21 = 0.33333333333333333332e0 / rho[0] * t14 - 0.31578733333333333333e-2 * t5 * t18;
172 if(vrho != NULL && (p->info->flags & XC_FLAGS_HAVE_VXC))
173 vrho[0] = -0.12429600000000000000e1 * t9 - 0.93222000000000000000e0 * t12 * t21;
174
175 #ifndef XC_DONT_COMPILE_FXC
176
177 if(order < 2) return;
178
179
180 t28 = rho[0] * rho[0];
181 t34 = t4 * t4;
182 t35 = 0.1e1 / t34;
183 t39 = 0.1e1 / t17 / rho[0];
184 t42 = -0.22222222222222222221e0 / t28 * t14 + 0.11728474554722599292e2 / t1 / t28 * t35 + 0.21052488888888888889e-2 * t5 * t39;
185 if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC))
186 v2rho2[0] = -0.24859200000000000000e1 * t21 * t1 - 0.41432000000000000000e0 * t8 * t18 - 0.93222000000000000000e0 * t12 * t42;
187
188 #ifndef XC_DONT_COMPILE_KXC
189
190 if(order < 3) return;
191
192
193 t51 = t28 * rho[0];
194 t60 = 0.1e1 / t17 / t51;
195 t62 = 0.1e1 / t34 / t4;
196 t66 = 0.1e1 / t17 / t28;
197 t69 = 0.37037037037037037035e0 / t51 * t14 - 0.35185423664167797876e2 / t1 / t51 * t35 + 0.82534269228465284243e3 * t60 * t62 - 0.35087481481481481482e-2 * t5 * t66;
198 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
199 v3rho3[0] = -0.37288800000000000000e1 * t42 * t1 - 0.12429600000000000000e1 * t21 * t18 + 0.27621333333333333333e0 * t8 * t39 - 0.93222000000000000000e0 * t12 * t69;
200
201 #ifndef XC_DONT_COMPILE_LXC
202
203 if(order < 4) return;
204
205
206 t80 = t28 * t28;
207 t94 = t34 * t34;
208 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
209 v4rho4[0] = -0.49718400000000000000e1 * t69 * t1 - 0.24859200000000000000e1 * t42 * t18 + 0.11048533333333333333e1 * t21 * t39 - 0.46035555555555555555e0 * t8 * t66 - 0.93222000000000000000e0 * t12 * (-0.98765432098765432088e0 / t80 * t14 + 0.13031638394136221436e3 / t1 / t80 * t35 - 0.55022846152310189495e4 / t17 / t80 * t62 + 0.87120096888481155292e5 / t80 / rho[0] / t94 + 0.93566617283950617285e-2 * t5 * t60);
210
211 #ifndef XC_DONT_COMPILE_MXC
212
213 if(order < 5) return;
214
215
216 #endif
217
218 #endif
219
220 #endif
221
222 #endif
223
224 #endif
225
226
227 }
228
229
230 static inline void
func_pol(const xc_func_type * p,int order,const double * rho,double * zk,LDA_OUT_PARAMS_NO_EXC (double *))231 func_pol(const xc_func_type *p, int order, const double *rho, double *zk, LDA_OUT_PARAMS_NO_EXC(double *))
232 {
233
234 #ifndef XC_DONT_COMPILE_EXC
235 double t1, t2, t5, t6, t9, t10;
236
237 #ifndef XC_DONT_COMPILE_VXC
238 double t13, t15, t18, t19, t22;
239
240 #ifndef XC_DONT_COMPILE_FXC
241 double t29, t35, t36, t40, t43;
242
243 #ifndef XC_DONT_COMPILE_KXC
244 double t52, t61, t63, t67, t70;
245
246 #ifndef XC_DONT_COMPILE_LXC
247 double t81, t95;
248 #endif
249
250 #endif
251
252 #endif
253
254 #endif
255
256 #endif
257
258
259
260 t1 = rho[0] + rho[1];
261 t2 = POW_1_3(t1);
262 t5 = 0.1e1 + 0.10555627099250339363e3 / t2;
263 t6 = log(t5);
264 t9 = 0.1e1 - 0.94736200000000000000e-2 * t6 * t2;
265 t10 = t9 * t2;
266 if(zk != NULL && (p->info->flags & XC_FLAGS_HAVE_EXC))
267 zk[0] = -0.93222000000000000000e0 * t10;
268
269 #ifndef XC_DONT_COMPILE_VXC
270
271 if(order < 1) return;
272
273
274 t13 = t2 * t1;
275 t15 = 0.1e1 / t5;
276 t18 = t2 * t2;
277 t19 = 0.1e1 / t18;
278 t22 = 0.33333333333333333332e0 / t1 * t15 - 0.31578733333333333333e-2 * t6 * t19;
279 if(vrho != NULL && (p->info->flags & XC_FLAGS_HAVE_VXC))
280 vrho[0] = -0.12429600000000000000e1 * t10 - 0.93222000000000000000e0 * t13 * t22;
281
282 if(vrho != NULL && (p->info->flags & XC_FLAGS_HAVE_VXC))
283 vrho[1] = vrho[0];
284
285 #ifndef XC_DONT_COMPILE_FXC
286
287 if(order < 2) return;
288
289
290 t29 = t1 * t1;
291 t35 = t5 * t5;
292 t36 = 0.1e1 / t35;
293 t40 = 0.1e1 / t18 / t1;
294 t43 = -0.22222222222222222221e0 / t29 * t15 + 0.11728474554722599292e2 / t2 / t29 * t36 + 0.21052488888888888889e-2 * t6 * t40;
295 if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC))
296 v2rho2[0] = -0.24859200000000000000e1 * t22 * t2 - 0.41432000000000000000e0 * t9 * t19 - 0.93222000000000000000e0 * t13 * t43;
297
298 if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC))
299 v2rho2[1] = v2rho2[0];
300
301 if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC))
302 v2rho2[2] = v2rho2[1];
303
304 #ifndef XC_DONT_COMPILE_KXC
305
306 if(order < 3) return;
307
308
309 t52 = t29 * t1;
310 t61 = 0.1e1 / t18 / t52;
311 t63 = 0.1e1 / t35 / t5;
312 t67 = 0.1e1 / t18 / t29;
313 t70 = 0.37037037037037037035e0 / t52 * t15 - 0.35185423664167797876e2 / t2 / t52 * t36 + 0.82534269228465284243e3 * t61 * t63 - 0.35087481481481481482e-2 * t6 * t67;
314 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
315 v3rho3[0] = -0.37288800000000000000e1 * t43 * t2 - 0.12429600000000000000e1 * t22 * t19 + 0.27621333333333333333e0 * t9 * t40 - 0.93222000000000000000e0 * t13 * t70;
316
317 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
318 v3rho3[1] = v3rho3[0];
319
320 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
321 v3rho3[2] = v3rho3[1];
322
323 if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC))
324 v3rho3[3] = v3rho3[2];
325
326 #ifndef XC_DONT_COMPILE_LXC
327
328 if(order < 4) return;
329
330
331 t81 = t29 * t29;
332 t95 = t35 * t35;
333 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
334 v4rho4[0] = -0.49718400000000000000e1 * t70 * t2 - 0.24859200000000000000e1 * t43 * t19 + 0.11048533333333333333e1 * t22 * t40 - 0.46035555555555555555e0 * t9 * t67 - 0.93222000000000000000e0 * t13 * (-0.98765432098765432088e0 / t81 * t15 + 0.13031638394136221436e3 / t2 / t81 * t36 - 0.55022846152310189495e4 / t18 / t81 * t63 + 0.87120096888481155292e5 / t81 / t1 / t95 + 0.93566617283950617285e-2 * t6 * t61);
335
336 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
337 v4rho4[1] = v4rho4[0];
338
339 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
340 v4rho4[2] = v4rho4[1];
341
342 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
343 v4rho4[3] = v4rho4[2];
344
345 if(v4rho4 != NULL && (p->info->flags & XC_FLAGS_HAVE_LXC))
346 v4rho4[4] = v4rho4[3];
347
348 #ifndef XC_DONT_COMPILE_MXC
349
350 if(order < 5) return;
351
352
353 #endif
354
355 #endif
356
357 #endif
358
359 #endif
360
361 #endif
362
363
364 }
365
366