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
|
/* 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 pi.h
@brief Constants for the number pi and some related numbers like
sqrt(pi).
@author: Elias Rudberg <em>responsible</em>
*/
#ifndef PI_HEADER
#define PI_HEADER
#include "config.h" // need config.h to get PRECISION_QUAD_FLT128 macro
/* ELIAS NOTE 2016-08-30: the numbers below were produced using the
quadmath library, by running the program in
source/standalone/pi_quadmath.c */
#ifdef PRECISION_QUAD_FLT128
/* __float128 case: use suffix 'Q' */
#define pi 3.1415926535897932384626433832795028Q
#define sqrtpi 1.7724538509055160272981674833411451Q
#define pitopow52 17.4934183276248628462628216798715544Q
#else
/* regular, non-__float128 case: use suffix 'L' */
#define pi 3.1415926535897932384626433832795028L
#define sqrtpi 1.7724538509055160272981674833411451L
#define pitopow52 17.4934183276248628462628216798715544L
#endif
#endif
|
