matrix.h

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#ifndef MATRIX_H
#define MATRIX_H
 
// Peize Lin update 2018-07-29
 
#ifdef _MCD_CHECK
#endif
 
#include <ostream>
#include<cassert>
 
#include <fstream> // test
 
namespace ModuleBase
{
 
class matrix
{
    /* data */
public:
 
    int nr=0;
    int nc=0;   /* Number of rows and columns */
    double *c=nullptr;    /* Holds the data */
 
    /* Constructors and destructor */
    matrix(): nr(0), nc(0), c(nullptr){}
    matrix( const int nrows, const int ncols, const bool flag_zero=true );      // Peize Lin add flag_zero 2018-07-02
    matrix( const matrix &m1 ); /* copy constructor */
    matrix( matrix && m1 );         // Peize Lin add 2016-08-05
    ~matrix();
 
    void create( const int nrow, const int ncol, const bool flag_zero=true );           // Peize Lin add flag_zero 2018-07-02
    matrix& operator=(const matrix &m1); // Peize Lin change 2018-03-12
    matrix& operator=( matrix && m1 );  // Peize Lin add 2016-08-05
 
    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];
    }
 
    const 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];
    }
 
//  inline double &operator()(int i,int j) const
//      { return c[nc*i+j]; }
 
    void operator*=(const double &s);
    void operator+=(const matrix &m);
    void operator-=(const matrix &m);
 
    /* member function: */
    matrix Inverse(void);
 
    double det(void);
 
    // mohan add 2011-01-13
    double trace_on(void) const;
 
    /* zero out all the entries */
    void zero_out(void);
    
    /* fill all entries with number */
    void fill_out(const double x);
 
    void get_extreme_eigen_values(double &ev_lower, double &ev_upper) const;    // mohan add 2011-01-13
 
    void reshape( const int nr_new, const int nc_new,  const bool flag_zero = true );       // Peize Lin add 2017-05-27
 
    double max() const;                 // Peize Lin add 2016-09-08
    double min() const;                 // Peize Lin add 2016-09-08
    double absmax() const;              // Peize Lin add 2018-07-02
 
    double norm() const;                // Peize Lin add 2018-08-12
 
    std::ostream & print( std::ostream & os, const double threshold=0.0 ) const;        // Peize Lin add 2021.09.08
 
    using type=double;                  // Peize Lin add 2022.08.08 for template
};
 
 
matrix operator+(const matrix &m1, const matrix &m2);
matrix operator-(const matrix &m1, const matrix &m2);
matrix operator*(const matrix &m1, const matrix &m2);
matrix operator*(const double &s, const matrix &m);
matrix operator*(const matrix &m, const double &s);
 
matrix transpose(const matrix &m);
double trace_on(const matrix &A, const matrix &B);      // mohan add 2011-01-13
double mdot(const matrix &A, const matrix &B);          // mohan add 2011-01-13
 
//std::ostream & operator<<( std::ostream & os, const matrix & m );     // Peize Lin add 2016-09-08
 
}
 
#endif // MATRIX_H