Refactor RDMFT class: Remove unnecessary line and initialize E_RDMFT array with explicit values

Author: Kai Luo

source/source_lcao/module_rdmft/rdmft.h

@@ -41,7 +41,6 @@ namespace rdmft
 template <typename TK, typename TR>
 class RDMFT
 {
-
   public:
     RDMFT();
     ~RDMFT();
@@ -75,7 +74,7 @@ class RDMFT
     psi::Psi<TK> occNum_HamiltWfc;
 
     //! E_RDMFT[4] stores ETV, Ehartree, Exc, Etotal
-    mutable double E_RDMFT[4] = {0.0};
+    mutable double E_RDMFT[4] = {0.0, 0.0, 0.0, 0.0};
     mutable double Etotal = 0.0;
     // std::vector<double> E_RDMFT(4);
 
@@ -184,8 +183,8 @@ class RDMFT
     bool exx_spacegroup_symmetry = false;
 #endif
 
-    mutable double etxc = 0.0;
-    mutable double vtxc = 0.0;
+    double etxc = 0.0;
+    double vtxc = 0.0;
     bool only_exx_type = false;
     const int cal_E_type = 1;   // cal_type = 2 just support XC-functional without exx