beta_radials.h

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#ifndef BETA_RADIALS_H_
#define BETA_RADIALS_H_
 
#include "source_basis/module_nao/radial_set.h"
 
 
class BetaRadials : public RadialSet
{
  public:
    BetaRadials() {}
    BetaRadials(const BetaRadials& other) : RadialSet(other) {} 
 
    using RadialSet::operator=;
    BetaRadials* clone() const { return new BetaRadials(*this); } // covariant return type
 
    ~BetaRadials() {}
 
    void build(const Numerical_Nonlocal& nl,
               const int itype = 0,
               std::ofstream* const ptr_log = nullptr);
 
    /*
    void build(const std::string& file,          //!< pseudopotential file name
               const int itype = 0,              //!< element index in calculation
               std::ofstream* ptr_log = nullptr, //!< output file stream for logging
               const int rank = 0                //!< MPI rank
    );
    */
 
  private:
    /*
    void read_beta_upf100(std::ifstream& ifs,               //!< input file stream from orbital file
                          std::ofstream* ptr_log = nullptr, //!< output file stream for logging
                          const int rank = 0                //!< MPI rank
    );
 
    void read_beta_upf201(std::ifstream& ifs,               //!< input file stream from orbital file
                          std::ofstream* ptr_log = nullptr, //!< output file stream for logging
                          const int rank = 0                //!< MPI rank
    );
 
    std::string trim201(std::string const& str);
 
    std::string extract201(std::string const& str, std::string const& keyword);
    */
};
 
#endif