Keep updating the output formats of ABACUS #6056
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mohanchen
added
Input&Output
YuLiu98
reviewed
Mar 26, 2025
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| // print total stress | ||
| ModuleIO::print_stress("TOTAL-STRESS", scs, true, ry); | ||
| bool screen = false; |
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The original bool para screen should be true.
YuLiu98
reviewed
Mar 26, 2025
source/module_md/md_func.cpp
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| ofs << " ELECTRONIC PART OF STRESS: " << virial_scalar * unit_transform << " KBAR" << std::endl; | ||
| ofs << " IONIC (KINETIC) PART OF STRESS: " << (stress_scalar - virial_scalar) * unit_transform << " KBAR" << std::endl; | ||
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| // one should use 'print_stress' function in ../source/module_io/output_log.cpp |
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So why not use print_stress function here?
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Keep updating the output formats of ABACUS