Add default threshold and precision value for Output_HContainer.

Author: ErjieWu

source/module_hamilt_lcao/module_hcontainer/output_hcontainer.cpp

@@ -18,6 +18,14 @@ Output_HContainer<T>::Output_HContainer(hamilt::HContainer<T>* hcontainer,
                                         int precision)
     : _hcontainer(hcontainer), _ofs(ofs), _sparse_threshold(sparse_threshold), _precision(precision)
 {
+    if (this->_sparse_threshold == -1)
+    {
+        this->_sparse_threshold = 1e-10;
+    }
+    if (this->_precision == -1)
+    {
+        this->_precision = 8;
+    }
 }
 
 template <typename T>

source/module_hamilt_lcao/module_hcontainer/output_hcontainer.h

@@ -13,7 +13,7 @@ template <typename T>
 class Output_HContainer
 {
   public:
-    Output_HContainer(hamilt::HContainer<T>* hcontainer, std::ostream& ofs, double sparse_threshold, int precision);
+    Output_HContainer(hamilt::HContainer<T>* hcontainer, std::ostream& ofs, double sparse_threshold = -1, int precision = -1);
     // write the matrices of all R vectors to the output stream
     void write();