File tree Expand file tree Collapse file tree 1 file changed +4
-4
lines changed Expand file tree Collapse file tree 1 file changed +4
-4
lines changed Original file line number Diff line number Diff line change @@ -889,8 +889,8 @@ void RDMFT<TK, TR>::cal_Energy(const int cal_type)
889889
890890 std::cout << std::fixed << std::setprecision (10 ) << " ******\n E(TV + Hartree + XC) by RDMFT: " << E_RDMFT[3 ] << " \n\n ETV_RDMFT: "
891891 << E_RDMFT[0 ] << " \n Ehartree_RDMFT: " << E_RDMFT[1 ] << " \n Exc_RDMFT: " << E_RDMFT[2 ] << " \n E_Ewald: " << E_Ewald
892- << " \n E_entropy(-TS): " << E_entropy << " \n E_descf: " << E_descf << " \n\n Etotal_RDMFT: " << Etotal << " \n Exc_ksdft: " << E_xc_KS
893- << " \n\ n E_exx_ksdft: " << E_exx_KS <<" \n ******\n\n " << std::endl;
892+ << " \n E_entropy(-TS): " << E_entropy << " \n E_descf: " << E_descf << " \n\n Etotal_RDMFT: " << Etotal << " \n\ n Exc_ksdft: " << E_xc_KS
893+ << " \n E_exx_ksdft: " << E_exx_KS <<" \n ******\n\n " << std::endl;
894894
895895 std::cout << " \n etxc: " << etxc << " \n vtxc: " << vtxc << " \n " ;
896896
@@ -902,8 +902,8 @@ void RDMFT<TK, TR>::cal_Energy(const int cal_type)
902902
903903 std::cout << std::fixed << std::setprecision (10 ) << " ******\n E(TV + Hartree + XC) by RDMFT: " << E_RDMFT[3 ] << " \n\n ETV_RDMFT: "
904904 << E_RDMFT[0 ] << " \n E_hartree_RDMFT: " << E_RDMFT[1 ] << " \n Exc_" << XC_func_rdmft << " _RDMFT: " << E_RDMFT[2 ] << " \n E_Ewald: " << E_Ewald
905- << " \n E_entropy(-TS): " << E_entropy << " \n E_descf: " << E_descf << " \n\n Etotal_RDMFT: " << Etotal << " \n Exc_ksdft: " << E_xc_KS
906- << " \n\ n E_exx_ksdft: " << E_exx_KS <<" \n ******\n\n " << std::endl;
905+ << " \n E_entropy(-TS): " << E_entropy << " \n E_descf: " << E_descf << " \n\n Etotal_RDMFT: " << Etotal << " \n\ n Exc_ksdft: " << E_xc_KS
906+ << " \n E_exx_ksdft: " << E_exx_KS <<" \n ******\n\n " << std::endl;
907907
908908 std::cout << " \n etxc: " << etxc << " \n vtxc: " << vtxc << " \n " ;
909909
You can’t perform that action at this time.
0 commit comments