gram_schmidt_orth.h

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//==========================================================
// AUTHOR : Peize Lin
// DATE : 2016-08-03
//==========================================================
 
#ifndef GRAM_SCHMIDT_ORTH_H
#define GRAM_SCHMIDT_ORTH_H
 
#include<limits>
#include<vector>
namespace ModuleBase
{
 
template<typename Func_Type, typename R_Type=double>
class Gram_Schmidt_Orth
{
public:
 
    enum class Coordinate { Cartesian, Sphere };
    
    Gram_Schmidt_Orth( const std::vector<R_Type> &rab, const Coordinate &coordinate );
    
    std::vector<std::vector<Func_Type>> cal_orth( 
        const std::vector<std::vector<Func_Type>> &func,
        const Func_Type norm_threshold = std::numeric_limits<Func_Type>::min() );
    
private:
 
    const Coordinate coordinate;
    const std::vector<R_Type> &rab;
    std::vector<R_Type> radial_2;   
 
    Func_Type cal_norm( const std::vector<Func_Type> &f );
 
};
 
}
#endif  // GRAM_SCHMIDT_ORTH_H