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jesperschmidthansen / molsim

GNU Octave interface to seplib
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Optimization of Coulomb interactions #7

Closed jesperschmidthansen closed 2 years ago

jesperschmidthansen commented 2 years ago

Perhaps a simple if statement checking if the charge is zero can optimize the force calculations for mix of non-charged and charge particles (seplib issue)

jesperschmidthansen commented 2 years ago

Done. Passes the seplib test suit.