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Re: [h5md-user] fields of observable group
From: |
Peter Colberg |
Subject: |
Re: [h5md-user] fields of observable group |
Date: |
Tue, 30 Aug 2011 11:46:32 -0400 |
User-agent: |
Mutt/1.5.21 (2010-09-15) |
On Tue, Aug 30, 2011 at 05:34:32PM +0200, Felix Höfling wrote:
> Am 30.08.2011, 16:39 Uhr, schrieb Peter Colberg
> <address@hidden>:
>
> >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.)
That is not an objection, but an endorsement of my proposal ;-).
We would definitely not want to mix non-specified (i.e. program
dependent) and specified parameters in the same group. This is
why it is a good idea to give program-dependent parameters
a program-dependent group name from the beginning.
With regard to the box size, should we postpone this to version 0.2?
Peter
- Re: [h5md-user] fields of observable group, (continued)
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/26
- Re: [h5md-user] fields of observable group, Felix Höfling, 2011/08/27
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/29
- Message not available
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/29
- Re: [h5md-user] fields of observable group, Felix Höfling, 2011/08/29
- Re: [h5md-user] fields of observable group, Peter Colberg, 2011/08/29
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/30
- Re: [h5md-user] fields of observable group, Peter Colberg, 2011/08/30
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/30
- Re: [h5md-user] fields of observable group, Felix Höfling, 2011/08/30
- Re: [h5md-user] fields of observable group,
Peter Colberg <=
- Re: [h5md-user] fields of observable group, Pierre de Buyl, 2011/08/30
- Re: [h5md-user] fields of observable group, Felix Höfling, 2011/08/31
- Re: [h5md-user] fields of observable group, Felix Höfling, 2011/08/31