[Fsatom-comm] List of codes

[Xavier Gonze]

Dear all,

After the few mails exchanged,
it seems that we are evolving towards the following
Web page structure :

>>III.a. According to theoretical framework, then to licence
>>  - Molecular Dynamics/Force Fields
>>  - Tight binding
>>  - Quantum Chemistry : Hartree Fock/MP/CC/CI
>>  - Density Functional
>>  - Pseudopotential generators
>>  - Quantum Monte Carlo
>>  - Many-Body Perturbation Theory (GW, Bethe-Salpether)
>>  - Miscellaneous ?!

In each of these sections, one would find :
(1) the list of "Free Softwares", with adequate description of their
functionalities, licences, links, etc ...
(2) list of links to proprietary softwares, with the
aim of being able to contact the adequate person, but without
description of our own.

We should describe this strategy at the top of the page.
We should also have links to pages with lists of codes,
like the FSF site I mentioned in my earlier mail.

>>
>>IV. How to maintain ?
>>
> 
> c doing a and b would be the best. But I do not volunteer.
> If we cannot satisfy c, could we use the Wiki?
> That is, we divide the work according to domains and we need to find
> c1, c2, c3 ...c8 one for each domain, and each ci fills its portion.
> Is a)  automatable?
> We need a c0 to make a frame, with the list of the theoretical frameworks
> and a name of voluntary for each.
> Then I could take a part.

So, maybe :
1) we start the Web page by "brute force", in the coming weeks,
  which means that
  - I should somehow complete the list I sent earlier, with actual links,
   and send it to Miguel
  - Miguel formats the information, as he prefers
   (technically it might be easy to set up a database, as Miguel
     wrote - I think the choice should be yours, Miguel)
2) until the next meeting of FSAtom at CECAM, Miguel simply receives
  updates by mail, but with nobody in charge of proactive survey
3) we discuss at the next FSAtom meeting how to maintain it .

By the way, just after 1) I plan to contact
each of the persons associated with one of the mentioned code,
and propose them :
- to register in the FSAtom mailing list
- to correct the "preliminary" information provided on the site
This will be more than a bit of work, but I think it is an
important step.
Then, one should advertise the FSAtom widely.

Any comment and suggestion ?
Best regards,
Xavier