use max(0,rho) instead of warningquit

Author: WHUweiqingzhou

source/source_estate/module_charge/charge_mixing_rho.cpp

@@ -96,12 +96,8 @@ void Charge_Mixing::mix_rho_recip(Charge* chr)
         }
         for (int ig = 0; ig < npw; ig++)
         {
-            chr->rhog[0][ig] = 0.5 * (rhog_mag[ig] + rhog_mag[ig+npw]);
-            chr->rhog[1][ig] = 0.5 * (rhog_mag[ig] - rhog_mag[ig+npw]);
-            if (chr->rhog[1][ig] < 0.0)
-            {
-                ModuleBase::WARNING_QUIT("Charge_Mixing", "Magnetism is larger than Charge at some grid, please try a smaller mixing_beta_mag!");
-            }
+            chr->rhog[0][ig] = max(0.0, 0.5 * (rhog_mag[ig] + rhog_mag[ig+npw]));
+            chr->rhog[1][ig] = max(0.0, 0.5 * (rhog_mag[ig] - rhog_mag[ig+npw]));
         }
         // delete
         delete[] rhog_mag;
@@ -393,12 +389,8 @@ void Charge_Mixing::mix_rho_real(Charge* chr)
         }
         for (int ir = 0; ir < nrxx; ir++)
         {
-            chr->rho[0][ir] = 0.5 * (rho_mag[ir] + rho_mag[ir+nrxx]);
-            chr->rho[1][ir] = 0.5 * (rho_mag[ir] - rho_mag[ir+nrxx]);
-            if (chr->rho[1][ir] < 0.0)
-            {
-                ModuleBase::WARNING_QUIT("Charge_Mixing", "Magnetism is larger than Charge at some grid, please try a smaller mixing_beta_mag!");
-            }
+            chr->rho[0][ir] = max(0.0, 0.5 * (rho_mag[ir] + rho_mag[ir+nrxx]));
+            chr->rho[1][ir] = max(0.0, 0.5 * (rho_mag[ir] - rho_mag[ir+nrxx]));
         }
         // delete
         delete[] rho_mag;