[Octopus-devel] Release Re: [Octopus-notify] svn commit: r7796 - in trunk/src: main utils by marques
xavier at tddft.org
Thu Apr 28 12:56:58 WEST 2011
On Thu, Apr 28, 2011 at 8:46 AM, Micael Oliveira <micael at teor.fis.uc.pt> wrote:
> As for the sign of the electric fields, I would vote to have the particles
> with the right sign, even if this means we will have to do many changes in
> the code.
What is the right sign? Electron charge is +1 or -1? Currently we
assume e=+1 and to change it, I think, would imply a lot of work and
to delay the release for a few months at least, as we would have to
check all the code for correctness. Perhaps we could define explicitly
a constant for the electron charge and start using it in the code.
I think the priority should be to have potentials and electric fields
consistent in their sign.
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