Re: [Freeon-users] freeon documentation

[Jose R. Valverde]

I think Nicolas' answer summarizes it very well. It would be nice if
we -as users- tried at least to start a mock-up of a draft documentation.

Have you (the developers) thought of setting up an open wiki for the
documentation? If not, would you mind if we (the users) did set up one?
I'd gladly volunteer.

As I mentioned earlier, I'd like to give some training on FreeON (but
things are going a lot slower than I expected) and am willing to start
writing some documentation.

By the way, I have found in the sources, the various FreeON/*Keys.f90 
files to be a good source of documentation on the options available.
Granted, it's not for the non-Fortran conversant, and requires some
degree of familiarity with the terminology to deduce the meaning, but
still, it's better than nothing, and coupled with related manuals (e.
g. orca, gamess-us...) can be very enlightening.

                                j

On Fri, 20 Apr 2012 10:48:13 -0600
Nicolas Bock <address@hidden> wrote:
> Hi Gao,
> 
> we don't have a good manual or more in depth documentation at the moment,
> but are working on it. In the meantime you may want to have a look at the
> examples and Validate directories.
> 
> MPI is currently only working for NEB calculations, and that only across
> the band, i.e. each clone will be run on a separate rank.
> 
> If you have some specific input file questions, just email us back here and
> we will walk you through the input file syntax and the options you need to
> set.
> 
> nick
> 
> 
> On Fri, Apr 20, 2012 at 05:57, Gao Bin <address@hidden> wrote:
> 
> >  Hi,
> >
> > I heard MondoSCF long time ago, and would like to use it. Once I knew
> > FreeON the early of this week, I have cloned a copy. Although it seems to
> > be easy to use from the examples, yet may I ask if there is any FreeON
> > documentations or tutorials?
> >
> > Moreover, it looks like that FreeON can work with MPI (by searching "call
> > mpi" in the source code), is it right?
> >
> > Thank you in advance!
> >
> > Cheers
> >
> > Gao
> >


-- 
                        EMBnet/CNB
                Scientific Computing Service
        Solving all your computer needs for Scientific
                        Research.

                http://bioportal.cnb.csic.es
                  http://www.es.embnet.org