François Bérenger
François Bérenger
use dokeysto with camltc backend for that
before storing the bucket on disk, we should sort its points according to their dist to the vp
Might be better suited for some prediction tasks.
Maybe the partial charge should be discretized?
maybe log an error, not warn. Even stopping the system might be good.
Also, the initial counter value should be a randomly chosen integer.
Ca pourrait etre un petit sujet de stage ca; genre BAC+1 ou BAC+2.
Even 'opam-bundle toto' should work, if toto is a properly pinned opam package.
the diameter in bonds is the only parameter
look into molenc.sh; support from i to j radius atom environments