sep.h

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#ifndef SEP_H
#define SEP_H
 
#include <fstream>
#include <string>
 
class SepPot
{
  public:
    SepPot();
    ~SepPot();
 
    bool is_enable = false;
    double r_in = 0.0;      
    double r_out = 0.0;     
    double r_power = 20.0;  
    double enhence_a = 1.0; 
    std::string label;      
    std::string xc_type;    
    std::string orbital;    
    int mesh = 0;           
    int strip_elec = 0;     
    double* r = nullptr;    
    double* rv = nullptr;   
    int read_sep(std::ifstream& is);
    void print_sep_info(std::ofstream& ofs);
    void print_sep_vsep(std::ofstream& ofs);
#ifdef __MPI
    void bcast_sep();
#endif /* ifdef __MPI */
};
 
#endif /* ifndef SEP_H */