Re: [h5md-user] fields of observable group

[Felix Höfling]

Am 30.08.2011, 16:39 Uhr, schrieb Peter Colberg  
<address@hidden>:

> On Tue, Aug 30, 2011 at 02:32:25AM -0400, Pierre de Buyl wrote:
> > Well, with this reminder, I consider that the actual naming scheme
> > is set for 0.1
> > Every plural is where it should be (parameters and observables).
>
> Good thing you mention the parameters group:
>
> I propose to drop this common name, and let a program use its
> program name instead (e.g. “halmd”). A common name such as
> “parameters” suggests that the group's structure is somewhat
> standardized, which is not the case. More importantly, this avoids
> the confusion of trying to resume with *parameters* written by a
> different, incompatible program.
>
> What do you think of this proposal?
I have one objection: it might be of advantage to have some parameters  
standardised, e.g., the box size. Otherwise, an H5MD reader could not  
retrieve the box size from an H5MD file without the trajectory group. (And  
the box volume is certainly an interesting quantity independent of the  
trajectory.)

Felix