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Fix: print the default precision flag #3496

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Merged
WHUweiqingzhou merged 2 commits into from
Jan 22, 2024
Merged

Fix: print the default precision flag #3496

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f1df629
output the default precision flag
denghuilu Jan 15, 2024
e0e63e9
Merge branch 'develop' into print-precision
kirk0830 Jan 16, 2024
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1 change: 1 addition & 0 deletions source/module_io/write_input.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -85,6 +85,7 @@ void Input::Print(const std::string &fn) const
ModuleBase::GlobalFunc::OUTP(ofs, "cal_force", cal_force, "if calculate the force at the end of the electronic iteration");
ModuleBase::GlobalFunc::OUTP(ofs, "out_freq_ion", out_freq_ion, "the frequency ( >= 0 ) of ionic step to output charge density and wavefunction. 0: output only when ion steps are finished");
ModuleBase::GlobalFunc::OUTP(ofs, "device", device, "the computing device for ABACUS");
ModuleBase::GlobalFunc::OUTP(ofs, "precision", precision, "the computing precision for ABACUS");

ofs << "\n#Parameters (2.PW)" << std::endl;
ModuleBase::GlobalFunc::OUTP(ofs, "ecutwfc", ecutwfc, "#energy cutoff for wave functions");
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