1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
|
/* Ergo, version 3.8, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2019 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* Ergo: An open-source program for linear-scaling electronic structure
* calculations,
* Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
* Kruchinina,
* SoftwareX 7, 107 (2018),
* <http://dx.doi.org/10.1016/j.softx.2018.03.005>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
/* This file belongs to the template_lapack part of the Ergo source
* code. The source files in the template_lapack directory are modified
* versions of files originally distributed as CLAPACK, see the
* Copyright/license notice in the file template_lapack/COPYING.
*/
/* We need to include config.h to get macros PRECISION_QUAD_FLT128 and HAVE_SQRTL etc. */
#include "config.h"
#ifdef PRECISION_QUAD_FLT128
#include <quadmath.h>
#endif
#include <cmath>
#include <math.h>
#include <stdio.h>
#include "template_blas_basicmath.h"
/* fabs function */
#ifdef HAVE_FABSF
template<> float template_blas_fabs<float>(float x) { return fabsf(x); }
#else
template<> float template_blas_fabs<float>(float x) { return fabs(x); }
#endif
template<> double template_blas_fabs<double>(double x) { return fabs(x); }
#ifdef HAVE_FABSL
template<> long double template_blas_fabs<long double>(long double x) { return fabsl(x); }
#else
template<> long double template_blas_fabs<long double>(long double x) { return (long double)fabs((double)x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_FABSQ
template<> __float128 template_blas_fabs<__float128>(__float128 x) { return fabsq(x); }
#else
template<> __float128 template_blas_fabs<__float128>(__float128 x) { return fabs(x); }
#endif
#endif
/* sqrt function */
#ifdef HAVE_SQRTF
template<> float template_blas_sqrt<float>(float x) { return sqrtf(x); }
#else
template<> float template_blas_sqrt<float>(float x) { return sqrt(x); }
#endif
template<> double template_blas_sqrt<double>(double x) { return sqrt(x); }
#ifdef HAVE_SQRTL
template<> long double template_blas_sqrt<long double>(long double x) { return sqrtl(x); }
#else
template<> long double template_blas_sqrt<long double>(long double x) { return sqrt(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_SQRTQ
template<> __float128 template_blas_sqrt<__float128>(__float128 x) { return sqrtq(x); }
#else
template<> __float128 template_blas_sqrt<__float128>(__float128 x) { return sqrt(x); }
#endif
#endif
/* exp function */
#ifdef HAVE_EXPF
template<> float template_blas_exp<float>(float x) { return expf(x); }
#else
template<> float template_blas_exp<float>(float x) { return exp(x); }
#endif
template<> double template_blas_exp<double>(double x) { return exp(x); }
#ifdef HAVE_EXPL
template<> long double template_blas_exp<long double>(long double x) { return expl(x); }
#else
template<> long double template_blas_exp<long double>(long double x) { return exp(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_EXPQ
template<> __float128 template_blas_exp<__float128>(__float128 x) { return expq(x); }
#else
template<> __float128 template_blas_exp<__float128>(__float128 x) { return exp(x); }
#endif
#endif
/* log function */
#ifdef HAVE_LOGF
template<> float template_blas_log<float>(float x) { return logf(x); }
#else
template<> float template_blas_log<float>(float x) { return log(x); }
#endif
template<> double template_blas_log<double>(double x) { return log(x); }
#ifdef HAVE_LOGL
template<> long double template_blas_log<long double>(long double x) { return logl(x); }
#else
template<> long double template_blas_log<long double>(long double x) { return log(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_LOGQ
template<> __float128 template_blas_log<__float128>(__float128 x) { return logq(x); }
#else
template<> __float128 template_blas_log<__float128>(__float128 x) { return log(x); }
#endif
#endif
/* log10 function */
#ifdef HAVE_LOG10F
template<> float template_blas_log10<float>(float x) { return log10f(x); }
#else
template<> float template_blas_log10<float>(float x) { return log10(x); }
#endif
template<> double template_blas_log10<double>(double x) { return log10(x); }
#ifdef HAVE_LOG10L
template<> long double template_blas_log10<long double>(long double x) { return log10l(x); }
#else
template<> long double template_blas_log10<long double>(long double x) { return log10(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_LOG10Q
template<> __float128 template_blas_log10<__float128>(__float128 x) { return log10q(x); }
#else
template<> __float128 template_blas_log10<__float128>(__float128 x) { return log10(x); }
#endif
#endif
/* error function erf */
#ifdef HAVE_ERFF
template<> float template_blas_erf<float>(float x) { return erff(x); }
#else
template<> float template_blas_erf<float>(float x) { return erf(x); }
#endif
template<> double template_blas_erf<double>(double x) { return erf(x); }
#ifdef HAVE_ERFL
template<> long double template_blas_erf<long double>(long double x) { return erfl(x); }
#else
template<> long double template_blas_erf<long double>(long double x) { return erf(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_ERFQ
template<> __float128 template_blas_erf<__float128>(__float128 x) { return erfq(x); }
#else
template<> __float128 template_blas_erf<__float128>(__float128 x) { return erf(x); }
#endif
#endif
/* complementary error function erfc */
#ifdef HAVE_ERFCF
template<> float template_blas_erfc<float>(float x) { return erfcf(x); }
#else
template<> float template_blas_erfc<float>(float x) { return erfc(x); }
#endif
template<> double template_blas_erfc<double>(double x) { return erfc(x); }
#ifdef HAVE_ERFCL
template<> long double template_blas_erfc<long double>(long double x) { return erfcl(x); }
#else
template<> long double template_blas_erfc<long double>(long double x) { return erfc(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_ERFCQ
template<> __float128 template_blas_erfc<__float128>(__float128 x) { return erfcq(x); }
#else
template<> __float128 template_blas_erfc<__float128>(__float128 x) { return erfc(x); }
#endif
#endif
/* sine function sin */
#ifdef HAVE_SINF
template<> float template_blas_sin<float>(float x) { return sinf(x); }
#else
template<> float template_blas_sin<float>(float x) { return sin(x); }
#endif
template<> double template_blas_sin<double>(double x) { return sin(x); }
#ifdef HAVE_SINL
template<> long double template_blas_sin<long double>(long double x) { return sinl(x); }
#else
template<> long double template_blas_sin<long double>(long double x) { return sin(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_SINQ
template<> __float128 template_blas_sin<__float128>(__float128 x) { return sinq(x); }
#else
template<> __float128 template_blas_sin<__float128>(__float128 x) { return sin(x); }
#endif
#endif
/* cosine function cos */
#ifdef HAVE_COSF
template<> float template_blas_cos<float>(float x) { return cosf(x); }
#else
template<> float template_blas_cos<float>(float x) { return cos(x); }
#endif
template<> double template_blas_cos<double>(double x) { return cos(x); }
#ifdef HAVE_COSL
template<> long double template_blas_cos<long double>(long double x) { return cosl(x); }
#else
template<> long double template_blas_cos<long double>(long double x) { return cos(x); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_COSQ
template<> __float128 template_blas_cos<__float128>(__float128 x) { return cosq(x); }
#else
template<> __float128 template_blas_cos<__float128>(__float128 x) { return cos(x); }
#endif
#endif
/* power function pow */
#ifdef HAVE_POWF
template<> float template_blas_pow<float>(float x, float y) { return powf(x, y); }
#else
template<> float template_blas_pow<float>(float x, float y) { return pow(x, y); }
#endif
template<> double template_blas_pow<double>(double x, double y) { return pow(x, y); }
#ifdef HAVE_POWL
template<> long double template_blas_pow<long double>(long double x, long double y) { return powl(x, y); }
#else
template<> long double template_blas_pow<long double>(long double x, long double y) { return pow(x, y); }
#endif
#ifdef PRECISION_QUAD_FLT128
#ifdef HAVE_POWQ
template<> __float128 template_blas_pow<__float128>(__float128 x, __float128 y) { return powq(x, y); }
#else
template<> __float128 template_blas_pow<__float128>(__float128 x, __float128 y) { return pow(x, y); }
#endif
#endif
|
