Debugging ewald - Githubissues

dreid1991 / md_engine

GPU-implenemted MD engine with flexible python wrapper

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Debugging ewald #11

Closed dreid1991 closed 8 years ago

dreid1991 commented 8 years ago

Fixed a few bugs. Correction factor for multiplier < 1 and just a bug where I was dividing long range eng by nAtoms twice instead of once. Long range virials still wrong I think.