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source/module_rdmft/rdmft.cpp

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff 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) << "******\nE(TV + Hartree + XC) by RDMFT: " << E_RDMFT[3] << "\n\nETV_RDMFT: "
891891
<< E_RDMFT[0] << "\nEhartree_RDMFT: " << E_RDMFT[1] << "\nExc_RDMFT: " << E_RDMFT[2] << "\nE_Ewald: " << E_Ewald
892-
<< "\nE_entropy(-TS): " << E_entropy << "\nE_descf: " << E_descf << "\n\nEtotal_RDMFT: " << Etotal << "\nExc_ksdft: " << E_xc_KS
893-
<< "\n\nE_exx_ksdft: " << E_exx_KS <<"\n******\n\n" << std::endl;
892+
<< "\nE_entropy(-TS): " << E_entropy << "\nE_descf: " << E_descf << "\n\nEtotal_RDMFT: " << Etotal << "\n\nExc_ksdft: " << E_xc_KS
893+
<< "\nE_exx_ksdft: " << E_exx_KS <<"\n******\n\n" << std::endl;
894894

895895
std::cout << "\netxc: " << etxc << "\nvtxc: " << vtxc << "\n";
896896

@@ -902,8 +902,8 @@ void RDMFT<TK, TR>::cal_Energy(const int cal_type)
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903903
std::cout << std::fixed << std::setprecision(10) << "******\nE(TV + Hartree + XC) by RDMFT: " << E_RDMFT[3] << "\n\nETV_RDMFT: "
904904
<< E_RDMFT[0] << "\nE_hartree_RDMFT: " << E_RDMFT[1] << "\nExc_" << XC_func_rdmft << "_RDMFT: " << E_RDMFT[2] << "\nE_Ewald: " << E_Ewald
905-
<< "\nE_entropy(-TS): " << E_entropy << "\nE_descf: " << E_descf << "\n\nEtotal_RDMFT: " << Etotal << "\nExc_ksdft: " << E_xc_KS
906-
<< "\n\nE_exx_ksdft: " << E_exx_KS <<"\n******\n\n" << std::endl;
905+
<< "\nE_entropy(-TS): " << E_entropy << "\nE_descf: " << E_descf << "\n\nEtotal_RDMFT: " << Etotal << "\n\nExc_ksdft: " << E_xc_KS
906+
<< "\nE_exx_ksdft: " << E_exx_KS <<"\n******\n\n" << std::endl;
907907

908908
std::cout << "\netxc: " << etxc << "\nvtxc: " << vtxc << "\n";
909909

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