QNANO
Potential.h
1 #ifndef QNANO_NEW_POTENTIAL_DEFINED_H
2 #define QNANO_NEW_POTENTIAL_DEFINED_H
3 
4 #include "tools/List_Class.h"
5 #include "tools/Reader.h"
6 
8 class Potential: public List_Class<double>{
9 public:
10  void read(const std::string &filename);
11  void print(const std::string &filename)const;
12 
13  void check_size(int compare_size) const;
14  void read_check(const std::string &filename, int compare_size);
15 
16  void add(const Potential& other);
17 
18  Potential(){
19  }
20  Potential(const std::string &filename){
21  read(filename);
22  }
23  Potential(const std::string &filename, int compare_size){
24  read_check(filename, compare_size);
25  }
26 
27 };
28 
29 
30 #endif
Structure to store values for the potational on each atom of a given structure.
Definition: Potential.h:8
Definition: List_Class.h:8