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Merge branch 'after_scf' of github.com:YuLiu98/abacus-develop into af…
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…ter_scf
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YuLiu98 committed Aug 7, 2024
2 parents 60dc572 + 02d453a commit d35f5c6
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3 changes: 2 additions & 1 deletion source/module_elecstate/elecstate_print.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -307,8 +307,9 @@ void ElecState::print_etot(const bool converged,

GlobalV::ofs_running << "\n Density error is " << scf_thr << std::endl;

if (GlobalV::BASIS_TYPE == "pw")
if (GlobalV::BASIS_TYPE == "pw") {
ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "Error Threshold", pw_diag_thr); // xiaohui add 2013-09-02
}

std::vector<std::string> titles;
std::vector<double> energies_Ry;
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2 changes: 1 addition & 1 deletion source/module_esolver/esolver_ks.h
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
#include "module_psi/psi.h"

#include <fstream>
#include <string.h>
#include <cstring>
namespace ModuleESolver
{

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