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Print the correct energy, with sign

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This commit is contained in:
Alejandro Gallo 2021-10-05 17:54:39 +02:00
parent 2f1d3db6d8
commit bba062bcc9
2 changed files with 2 additions and 2 deletions
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2
atrip.org
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@ -2398,7 +2398,7 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
WITH_RANK << "local energy " << energy << "\n"; WITH_RANK << "local energy " << energy << "\n";
LOG(0, "Atrip") << "Energy: " LOG(0, "Atrip") << "Energy: "
<< std::setprecision(15) << std::setw(23) << std::setprecision(15) << std::setw(23)
<< globalEnergy << std::endl; << (- globalEnergy) << std::endl;
// PRINT TIMINGS {{{1 // PRINT TIMINGS {{{1
if (in.chrono) if (in.chrono)

2
src/atrip/Atrip.cxx
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@ -522,7 +522,7 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
WITH_RANK << "local energy " << energy << "\n"; WITH_RANK << "local energy " << energy << "\n";
LOG(0, "Atrip") << "Energy: " LOG(0, "Atrip") << "Energy: "
<< std::setprecision(15) << std::setw(23) << std::setprecision(15) << std::setw(23)
<< globalEnergy << std::endl; << (- globalEnergy) << std::endl;
// PRINT TIMINGS {{{1 // PRINT TIMINGS {{{1
if (in.chrono) if (in.chrono)