Stochastic test failures in RepartitionedHybridTopologyFactory_energies
See original GitHub issueI’m noticing some stochastic test failures in RepartitionedHybridTopologyFactory_energies
. I’m opening this thread to start logging them for future assessment.
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I tried turning on the sterics and removing the five attempts, but I’m now seeing this error for alanine dipeptide in vacuum:
I think this is because the the
validate_endstate_energies()
function assumes that only valence energies are on when generating the geometry proposal and cannot handle testing the endstate energies when sterics are on.@zhang-ivy Should turn on the sterics and remove the five attempts.