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
|
/* Ergo, version 3.8.2, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2023 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>.
*/
/** @file realtype.h
@brief Definition of the main floating-point datatype used; the
ergo_real type.
@author: Elias Rudberg <em>responsible</em>
*/
#ifndef REALTYPEHEADER
#define REALTYPEHEADER
#include "config.h"
#ifdef PRECISION_SINGLE
typedef float ergo_real;
typedef double ergo_long_real;
#define REALTYPE_DEFINED_OK
#endif
#ifdef PRECISION_DOUBLE
typedef double ergo_real;
typedef double ergo_long_real;
#define REALTYPE_DEFINED_OK
#endif
#ifdef PRECISION_LONG_DOUBLE
typedef long double ergo_real;
typedef long double ergo_long_real;
#define REALTYPE_DEFINED_OK
#endif
#ifdef PRECISION_QUAD_FLT128
typedef __float128 ergo_real;
typedef __float128 ergo_long_real;
#define REALTYPE_DEFINED_OK
#endif
/* if precision not specified, use double as default */
#ifndef REALTYPE_DEFINED_OK
typedef double ergo_real;
typedef double ergo_long_real;
#endif
#endif
|
