[Q-e-developers] ALL electron and PSEUDOPOTENTIAL data base

[Erica Vidal]

Dear all,

I need to understand us better, define some terms. From what I've talked to
Layla, Emine and Marco, the first thing you need to assemble a large
dataset.

A *data set (or dataset)* is a *collection of data*, usually presented in
tabular form. Each column represents a particular variable. Each row
corresponds to a given member of the data set in question. Nontabular data
sets can take the form of marked up strings of characters, such as an XML
file.

And while it is incorrect to refer to the dataset as a *database*, I prefer
to understand better to restrict this word to refer to the *data structure*,
rather than all of the data itself. The design, construction, and
maintenance of a complex database requires specialist skills.

So the first thing is to* build** the dataset* or rather decide which
variables are in each column, then with that information and more specific
requirements relating to searches in the dataset, I can d*esign the
structure of** the relational database*. Another step is to *build the** **
database*. And another step could be to *build** **an interface* for anyone
can query the database.

As I understood this first meeting to decide which variables or columns is
needed in the dataset. For that, it helps you have a clear idea of what you
need to compare, or what the problem is you plan to solve once you
have ordering
information. In other words, what information you will need to extract from
the dataset that it is too hard to find now?

Best Regards,


On Wed, Feb 8, 2012 at 10:03 AM, Layla Martin-Samos
<lmartinsamos at gmail.com>wrote:

> Dear all, we have started an ambicious project that consist in the
> building of a huge data base of all-electron calculations on model systems.
> The data base will also include in the future pseudopotential calculations.
> Marco Monni is performing the all-electron calclations and Erica Vidal is
> in charge for constructing the informatic framework. After many
> discussions, we have a first embrionary idea of what should be included in
> the data base. We would like to organize an informal meeting for deciding a
> first draft of the data-base structure. How many of you are interested in
> participating? could you give your disponibilities for the month? Once I
> know the participants and approx. disponibilities I will open a doodle
> pool. For people abroad we can arrange skype calls or video conf.
>
> thank you for your collaboration
>
> best regards
>
> Layla
>
> PS Emine and Oliviero can you update your contact info in the
> q-e-developers mailing list?
>



-- 
Erica Vidal
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