Add several warning quits in DensityMatrix and Gint when paramete…

…rs are not initialized (#4389)

* Add several warning quits when parameters are not initialized

* Change WARNING_QUIT to assert with __DEBUG flag in Gint and DM

source/module_elecstate/module_dm/density_matrix.cpp

@@ -458,6 +458,12 @@ template <>
 void DensityMatrix<std::complex<double>, double>::cal_DMR()
 {
     ModuleBase::TITLE("DensityMatrix", "cal_DMR");
+
+    // To check whether DMR has been initialized
+#ifdef __DEBUG
+    assert(!this->_DMR.empty() && "DMR has not been initialized!");
+#endif
+
     ModuleBase::timer::tick("DensityMatrix", "cal_DMR");
     int ld_hk = this->_paraV->nrow;
     int ld_hk2 = 2 * ld_hk;
@@ -615,6 +621,12 @@ template <>
 void DensityMatrix<double, double>::cal_DMR()
 {
     ModuleBase::TITLE("DensityMatrix", "cal_DMR");
+
+    // To check whether DMR has been initialized
+#ifdef __DEBUG
+    assert(!this->_DMR.empty() && "DMR has not been initialized!");
+#endif
+
     ModuleBase::timer::tick("DensityMatrix", "cal_DMR");
     int ld_hk = this->_paraV->nrow;
     for (int is = 1; is <= this->_nspin; ++is)

source/module_hamilt_lcao/module_gint/gint.cpp

@@ -687,6 +687,12 @@ void Gint::initialize_pvpR(const UnitCell& ucell_in, Grid_Driver* gd)
 void Gint::transfer_DM2DtoGrid(std::vector<hamilt::HContainer<double>*> DM2D)
 {
     ModuleBase::TITLE("Gint", "transfer_DMR");
+
+    // To check whether input parameter DM2D has been initialized
+#ifdef __DEBUG
+    assert(!DM2D.empty() && "Input parameter DM2D has not been initialized while calling function transfer_DM2DtoGrid!");
+#endif
+
     ModuleBase::timer::tick("Gint", "transfer_DMR");
     if (GlobalV::NSPIN != 4)
     {