@@ -277,24 +277,7 @@ void Print_Info::print_screen(const int &stress_step, const int &force_step, con
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std::cout << " -------------------------------------------" << std::endl;
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GlobalV::ofs_running << " \n -------------------------------------------" << std::endl;
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- if (GlobalV::relax_new)
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- {
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- std::cout << " STEP OF RELAXATION : " << unsigned (istep) << std::endl;
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- GlobalV::ofs_running << " STEP OF RELAXATION : " << unsigned (istep) << std::endl;
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- }
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- else if (GlobalV::CALCULATION==" relax" ) // pengfei 2014-10-13
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- {
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- std::cout << " STEP OF ION RELAXATION : " << unsigned (istep) << std::endl;
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- GlobalV::ofs_running << " STEP OF ION RELAXATION : " << unsigned (istep) << std::endl;
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- }
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- else if (GlobalV::CALCULATION==" cell-relax" )
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- {
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- std::cout << " RELAX CELL : " << unsigned (stress_step) << std::endl;
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- std::cout << " RELAX IONS : " << unsigned (force_step) << " (in total: " << unsigned (istep) << " )" << std::endl;
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- GlobalV::ofs_running << " RELAX CELL : " << unsigned (stress_step) << std::endl;
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- GlobalV::ofs_running << " RELAX IONS : " << unsigned (force_step) << " (in total: " << unsigned (istep) << " )" << std::endl;
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- }
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- else if (GlobalV::CALCULATION==" scf" ) // add 4 lines 2015-09-06, xiaohui
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+ if (GlobalV::CALCULATION==" scf" ) // add 4 lines 2015-09-06, xiaohui
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{
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std::cout << " SELF-CONSISTENT : " << std::endl;
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GlobalV::ofs_running << " SELF-CONSISTENT" << std::endl;
@@ -309,6 +292,26 @@ void Print_Info::print_screen(const int &stress_step, const int &force_step, con
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std::cout << " STEP OF MOLECULAR DYNAMICS : " << unsigned (istep) << std::endl;
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GlobalV::ofs_running << " STEP OF MOLECULAR DYNAMICS : " << unsigned (istep) << std::endl;
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}
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+ else
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+ {
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+ if (GlobalV::relax_new)
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+ {
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+ std::cout << " STEP OF RELAXATION : " << unsigned (istep) << std::endl;
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+ GlobalV::ofs_running << " STEP OF RELAXATION : " << unsigned (istep) << std::endl;
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+ }
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+ else if (GlobalV::CALCULATION==" relax" ) // pengfei 2014-10-13
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+ {
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+ std::cout << " STEP OF ION RELAXATION : " << unsigned (istep) << std::endl;
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+ GlobalV::ofs_running << " STEP OF ION RELAXATION : " << unsigned (istep) << std::endl;
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+ }
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+ else if (GlobalV::CALCULATION==" cell-relax" )
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+ {
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+ std::cout << " RELAX CELL : " << unsigned (stress_step) << std::endl;
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+ std::cout << " RELAX IONS : " << unsigned (force_step) << " (in total: " << unsigned (istep) << " )" << std::endl;
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+ GlobalV::ofs_running << " RELAX CELL : " << unsigned (stress_step) << std::endl;
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+ GlobalV::ofs_running << " RELAX IONS : " << unsigned (force_step) << " (in total: " << unsigned (istep) << " )" << std::endl;
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+ }
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+ }
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std::cout << " -------------------------------------------" << std::endl;
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GlobalV::ofs_running << " -------------------------------------------" << std::endl;
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