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Change the printing of the energy

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This commit is contained in:
Alejandro Gallo 2021-10-05 17:51:46 +02:00
parent bcefe0d2d7
commit 2f1d3db6d8
2 changed files with 2 additions and 2 deletions
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2
atrip.org
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@ -2396,7 +2396,7 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
MPI_Reduce(&energy, &globalEnergy, 1, MPI_DOUBLE, MPI_SUM, 0, universe); MPI_Reduce(&energy, &globalEnergy, 1, MPI_DOUBLE, MPI_SUM, 0, universe);
WITH_RANK << "local energy " << energy << "\n"; WITH_RANK << "local energy " << energy << "\n";
LOG(0,"LOOP FINISHED, energy") LOG(0, "Atrip") << "Energy: "
<< std::setprecision(15) << std::setw(23) << std::setprecision(15) << std::setw(23)
<< globalEnergy << std::endl; << globalEnergy << std::endl;

2
src/atrip/Atrip.cxx
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@ -520,7 +520,7 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
MPI_Reduce(&energy, &globalEnergy, 1, MPI_DOUBLE, MPI_SUM, 0, universe); MPI_Reduce(&energy, &globalEnergy, 1, MPI_DOUBLE, MPI_SUM, 0, universe);
WITH_RANK << "local energy " << energy << "\n"; WITH_RANK << "local energy " << energy << "\n";
LOG(0,"LOOP FINISHED, energy") LOG(0, "Atrip") << "Energy: "
<< std::setprecision(15) << std::setw(23) << std::setprecision(15) << std::setw(23)
<< globalEnergy << std::endl; << globalEnergy << std::endl;