complexmatrix.h

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#ifndef COMPLEXMATRIX_H
#define COMPLEXMATRIX_H
 
#include <complex>
 
#include "matrix.h"
 
#ifdef _MCD_CHECK
#include "mcd.h"
#endif
namespace ModuleBase
{
class ComplexMatrix
{
 
public:
 
    int nr=0;
    int nc=0;
    int size=0;
    std::complex<double> *c=nullptr;
 
    ComplexMatrix(): nr(0), nc(0), size(0), c(nullptr){}
    ComplexMatrix(const int nrows,const int ncols,const bool flag_zero=true);       // Peize Lin add flag_zero 2019-05-13
    ComplexMatrix(const ComplexMatrix &m1);
    ComplexMatrix(ComplexMatrix && m1);                     // Peize Lin add 2016-08-05
    explicit ComplexMatrix(const matrix &m);                            // Peize Lin add 2017-03-29
    ~ComplexMatrix();
    
    void create(const int nrow,const int ncol,const bool flag_zero=true);       // Peize Lin add flag_zero 2019-05-13
    ComplexMatrix& operator=(const ComplexMatrix &m);
    ComplexMatrix& operator=(ComplexMatrix && m);           // Peize Lin add 2016-08-05
 
    //============
    // Operators
    //============
    std::complex<double> &operator()(const int ir,const int ic)
    {
        assert(ir>=0);  assert(ir<nr);  assert(ic>=0);  assert(ic<nc);
        return c[ir*nc+ic];//mohan modify in-line 2007-10-1
    }
    const std::complex<double> &operator()(const int ir,const int ic)const
    {
        assert(ir>=0);  assert(ir<nr);  assert(ic>=0);  assert(ic<nc);
        return c[ir*nc+ic];//mohan modify in-line 2007-10-13
    }
    
    ComplexMatrix& operator*=(const std::complex<double> &s);
    ComplexMatrix& operator+=(const ComplexMatrix &m);
    ComplexMatrix& operator-=(const ComplexMatrix &m);
    //return a matrix whose element is the real part of element of the ComplexMatrix.
    matrix real() const;                        // Peize Lin add 2017-03-29
    
    //==================
    // member function:
    //==================
    //set all elements to be std::complex<double> {0.0,0.0}
    void zero_out(void);
    //set to be a unit matrix,
    void set_as_identity_matrix(void);
 
    std::ostream & print( std::ostream & os, const double threshold_abs=0.0, const double threshold_imag=0.0 ) const;       // Peize Lin add 2021.09.08
 
    // check if all the elements are real
    bool checkreal(void);
 
    using type=std::complex<double>;                    // Peiae Lin add 2022.08.08 for template
};
 
ComplexMatrix operator+(const ComplexMatrix &m1,  const ComplexMatrix &m2);
ComplexMatrix operator-(const ComplexMatrix &m1,  const ComplexMatrix &m2);
ComplexMatrix operator*(const ComplexMatrix &m1,  const ComplexMatrix &m2);
ComplexMatrix operator*(const std::complex<double> &s, const ComplexMatrix &m);
ComplexMatrix operator*(const ComplexMatrix &m,   const std::complex<double> &s);
ComplexMatrix operator*(const double &s,          const ComplexMatrix &m);
ComplexMatrix operator*(const ComplexMatrix &m,   const double &s);
 
//calculate the trace   
std::complex<double> trace(const ComplexMatrix &m);
 
//calculate the sum of the square of the modulus of the elements in ir row.
double abs2_row(const ComplexMatrix &m,const int ir);       // mohan add 2008-7-1   
 
//calculate the sum of the square of the modulus of the elements in ic-th column.
double abs2_column(const ComplexMatrix &m,const int ic);    // mohan add 2008-7-1 
 
// calculate the sum of the square of the modulus of all elements.
double abs2(const ComplexMatrix &m);
 
// calculate the sum of the square of the modulus of all elements of an array of ComplexMatrix.
double abs2(const int nmat, ComplexMatrix **m);
 
ComplexMatrix transpose(const ComplexMatrix &m, const bool &conjugate);
ComplexMatrix conj(const ComplexMatrix &m);                     // Peize Lin add 2019-05-13
 
//do mout += s*min
void scale_accumulate(
        const std::complex<double> &s, 
        const ComplexMatrix &min, 
        ComplexMatrix &mout);
 
//do (*mout[i]) += s * (*min[i]); int i<nmat
void scale_accumulate(
        const int &nmat, 
        const std::complex<double> &s, 
        ComplexMatrix **min, 
        ComplexMatrix **mout);
 
// Do mout = s1*m1 + s2*m2
void scaled_sum(
        const std::complex<double> &s1, 
        const ComplexMatrix &m1, 
        const std::complex<double> &s2, 
        const ComplexMatrix &m2, 
        ComplexMatrix &mout);
 
// Do (*mout[i]) = s1 * (*m1[i]) + s2 * (*m2[i])
void scaled_sum(
        const int &nmat,
        const std::complex<double> &s1, 
        ComplexMatrix **m1, 
        const std::complex<double> &s2,
        ComplexMatrix **m2, 
        ComplexMatrix **mout);
}
#endif