1 /*
2  *                This source code is part of
3  *
4  *                     E  R  K  A  L  E
5  *                             -
6  *                       DFT from Hel
7  *
8  * Written by Susi Lehtola, 2018
9  * Copyright (c) 2018, 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 SAP_POT_H
18 #define SAP_POT_H
19 
20 #include "global.h"
21 #include <armadillo>
22 #include <vector>
23 
24 class SAP {
25   /// Atomic data
26   std::vector<arma::mat> atoms;
27  public:
28   /// Constructor
29   SAP();
30   /// Destructor
31   ~SAP();
32 
33   /// Get potential
34   double get(int Z, double r) const;
35 };
36 
37 #endif
38 
39