Inverse_Matrix.h

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//=======================
// AUTHOR : Peize Lin
// DATE :   2022-08-17
//=======================
 
#pragma once
 
#include "ABFs_Construct-PCA.h"
 
#include <RI/global/Tensor.h>
#include <vector>
 
template <typename Tdata>
class Inverse_Matrix
{
  public:
    enum class Method
    {
        potrf,
        syev
    };
    void cal_inverse(const Method& method, const double& threshold_condition_number = 0.);
 
    void input(const RI::Tensor<Tdata>& m);
    void input(const std::vector<std::vector<RI::Tensor<Tdata>>>& ms);
    RI::Tensor<Tdata> output() const;
    std::vector<std::vector<RI::Tensor<Tdata>>> output(const std::vector<size_t>& n0,
                                                       const std::vector<size_t>& n1) const;
 
  private:
    void using_potrf();
    void using_syev(const double& threshold_condition_number);
    void copy_down_triangle();
    RI::Tensor<Tdata> A;
};
 
#include "Inverse_Matrix.hpp"