Re: [Jmol-developers] partial charge?

[Miguel <mi...@jm...>]

> In practice, of course, Jmol will get
> a file with "fractional charge" and you have no idea of the provenance.
> Only CML can resolve that.

So, why doesn't CML define a 'fractional charge' field, ... with some kind
of flexible identifier for identifying the type of calculation used to
determine the fractional charge?


Miguel