Add set_size() for BaseMatrix.

Author: ErjieWu

source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp

@@ -347,6 +347,10 @@ void AtomPair<T>::set_size(const int& col_size_in, const int& row_size_in)
 {
     this->col_size = col_size_in;
     this->row_size = row_size_in;
+    for (int i = 0; i < this->values.size(); i++)
+    {
+        this->values[i].set_size(row_size_in, col_size_in);
+    }
 }
 
 // get paraV for check

source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp

@@ -216,6 +216,14 @@ size_t BaseMatrix<T>::get_memory_size() const
     return memory_size;
 }
 
+// set size
+template <typename T>
+void BaseMatrix<T>::set_size(const int& nrow, const int& ncol)
+{
+    this->nrow_local = nrow;
+    this->ncol_local = ncol;
+}
+
 // T of BaseMatrix can be double or complex<double>
 template class BaseMatrix<double>;
 template class BaseMatrix<std::complex<double>>;

source/module_hamilt_lcao/module_hcontainer/base_matrix.h

@@ -80,14 +80,18 @@ class BaseMatrix
     */
     size_t get_memory_size() const;
 
-        /**
+    /**
      * @brief get col_size for this matrix
     */
     int get_col_size() const {return ncol_local;};
     /**
      * @brief get row_size for this matrix
     */
     int get_row_size() const {return nrow_local;};
+    /**
+     * @brief set col_size and row_size
+    */
+    void set_size(const int& col_size_in, const int& row_size_in);
 
   private:
     bool allocated = false;