Merge pull request #691 from pxlxingliang/complexmatrix

test: add the comments and unit test for module_base/complexmatrix.h

Author: dyzheng

source/module_base/complexmatrix.h

@@ -48,16 +48,20 @@ class ComplexMatrix
 	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 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);
 };
 
@@ -68,35 +72,47 @@ 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);
 
-double abs2_row(const ComplexMatrix &m,const int ir);		// mohan add 2008-7-1
-double abs2_column(const ComplexMatrix &m,const int ic);	// mohan add 2008-7-1
+//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, 

source/module_base/test/CMakeLists.txt

@@ -32,4 +32,9 @@ AddTest(
 AddTest(
   TARGET base_integral
   SOURCES math_integral_test.cpp ../math_integral.cpp
-)
+)
+AddTest(
+  TARGET base_complexmatrix
+  LIBS ${math_libs}
+  SOURCES complexmatrix_test.cpp ../complexmatrix.cpp ../matrix.cpp 
+)