ERKALE
ERKALE - DFT from Hel
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boys.h
1 /*
2  * This source code is part of
3  *
4  * E R K A L E
5  * -
6  * HF/DFT from Hel
7  *
8  * Written by Susi Lehtola, 2010-2015
9  * Copyright (c) 2010-2015, Susi Lehtola
10  *
11  * This program is free software; you can redistribute it and/or
12  * modify it under the terms of the GNU General Public License
13  * as published by the Free Software Foundation; either version 2
14  * of the License, or (at your option) any later version.
15  */
16 
17 #ifndef ERKALE_BOYS
18 #define ERKALE_BOYS
19 
20 #include "global.h"
21 #include <armadillo>
22 
23 namespace BoysTable {
25  extern arma::mat bfdata;
27  extern arma::vec expdata;
29  extern arma::vec prefac;
30 
32  extern int mmax;
34  extern int bforder;
36  extern int exporder;
38  extern double dx;
40  extern double xmax;
41 
43  void fill(int mmax, int order=6, double dx=0.001, double xmax=40.0);
44 
46  double eval(int m, double x);
48  void eval(int mmax, double x, arma::vec & Fval);
49 };
50 
51 #endif