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Change the sign of the returned energy

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This commit is contained in:
Alejandro Gallo 2021-10-05 16:55:25 +02:00
parent 185da8913e
commit 9d731bc489
2 changed files with 4 additions and 2 deletions
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3
atrip.org
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@ -2407,7 +2407,8 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
LOG(0, "atrip:flops")
<< nIterations * doublesFlops / chrono["doubles"].count() << "\n";
return { energy };
// TODO: change the sign in the getEnergy routines
return { - globalEnergy };
}
#+end_src

3
src/atrip/Atrip.cxx
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@ -533,7 +533,8 @@ Atrip::Output Atrip::run(Atrip::Input const& in) {
LOG(0, "atrip:flops")
<< nIterations * doublesFlops / chrono["doubles"].count() << "\n";
return { energy };
// TODO: change the sign in the getEnergy routines
return { - globalEnergy };
}
// Main:1 ends here