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lines changed Original file line number Diff line number Diff line change @@ -920,32 +920,8 @@ void RDMFT<TK, TR>::cal_Energy(const int cal_type)
920920 {
921921 GlobalV::ofs_running << " \n\n from class RDMFT: \n XC_fun: " << XC_func_rdmft << std::endl;
922922#ifdef __EXX
923- <<<<<<< HEAD
924923 if ( GlobalC::exx_info.info_global .cal_exx ) GlobalV::ofs_running << " alpha_power: " << alpha_power << std::endl;
925924#endif
926- =======
927- if ( GlobalC::exx_info.info_global .cal_exx ) { std::cout << " alpha_power: " << alpha_power << std::endl;
928- }
929- #endif
930- std::cout << std::fixed << std::setprecision (10 )
931- << " ******\n E(TV + Hartree + XC) by RDMFT: " << E_RDMFT[3 ]
932- << " \n\n E_TV_RDMFT: " << E_RDMFT[0 ]
933- << " \n E_hartree_RDMFT: " << E_RDMFT[1 ]
934- << " \n Exc_" << XC_func_rdmft << " _RDMFT: " << E_RDMFT[2 ]
935- << " \n E_Ewald: " << E_Ewald
936- << " \n E_entropy(-TS): " << E_entropy
937- << " \n E_descf: " << E_descf
938- << " \n\n Etotal_RDMFT: " << Etotal
939- << " \n\n Exc_ksdft: " << E_xc_KS
940- << " \n E_exx_ksdft: " << E_exx_KS
941- <<" \n ******\n\n " << std::endl;
942-
943- std::cout << " \n etxc: " << etxc << " \n vtxc: " << vtxc << " \n " ;
944- std::cout << " \n E_deband_KS: " << E_deband_KS << " \n E_deband_harris_KS: " << E_deband_harris_KS << " \n\n " << std::endl;
945-
946- if ( true )
947- {
948- >>>>>>> b90f546a585302ec9060e3a318d10f80e069dd1e
949925 // GlobalV::ofs_running << std::setprecision(12);
950926 // GlobalV::ofs_running << std::setiosflags(std::ios::right);
951927 GlobalV::ofs_running << std::fixed << std::setprecision (10 )
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