Re: [h5md-user] Related tools

[Pierre de Buyl]

Le 31 août 11 à 09:32, Felix Höfling a écrit :
> Am 30.08.2011, 16:46 Uhr, schrieb Pierre de Buyl
> <address@hidden>:
>
> > I think that we should set soon an additional page "Related  
> > tools" (or similar name) on the website where we could point to  
> > our respective implementations of H5MD. I would be ok to publish  
> > mine, in a development version, really soon as well as some Python  
> > scripts.
> >
> > This may help potential adopters.
> >
> > I stop creating new topics for today :-)
> >
> > Pierre
> I agree with that. Although we should emphasise that such an H5MD  
> toolset
> would merely reflect the current development state and is far from a
> release.
>
> I thought about a tool collection like
>
> h5md plot ...
> (basic plotting of observables etc., this could contain the existing
> mdplot scripts after migration)
>
> h5md compute ...
> (computation of averages and fluctuations from the observables group,
> e.g., temperature, pressure, specific heat, compressibility)
>
> h5md cat ...
> (glueing trajectory samples from several files together, I have a  
> basic
> variant for creating a layered system)
>
> h5md fit ...
> (this should be in combination with 'plot'. Probably it is better  
> to provide an option --fit with specific plotting subroutines as  
> automatic fitting without visual inspection is dangerous and  
> something I don't want to promote.)
Hi Felix,

I was thinking of simply linking to tools that we, or other  
prospective H5MD users, create that are of general H5MD interest.  
Developping a common tool seems to me to a big task.

Pierre