Subject: CCL: CCS standardization and reuse

From: Fabien Campagne <[email-masked]>
Date: Wed, 01 Oct 1997 22:14:04 +0100

Dear all,

Those of you interested in Computational Chemistry Software (CCS)
development, possibly followed the OO discussion that occurred
on CCL last summer.
Advantages of object-oriented programming methods, compared to
traditional fortran programming style were discussed. At some point
of the discussion, I proposed to create and maintain a resource that
would help people interested in CCS development, find information
about methods useful to achieve maximum software reuse. i.e. how
could you design and propose interfaces to your code so that others
won't need to spend weeks understanding all the details, before they
can use it (safely!). More details are available from the original post.

This resource is now available and provides:

 - a discussion area focused on the design of reusable CCS
    components (computational chemistry algorithms, tools),
 - background information and pointers about useful design and
    programming techniques (including mixed programming portable
    solutions),
 - a repository of well designed Object Oriented public interfaces
    to common CCS algorithm/method implementations,
 - proposals for APIs (Application programming Interface) around
    aspects of CCS that are common to many implementations: molecular
    information storage, optimization algorithms.

and more. The resource is freely available through the WWW in the hope
it will help promote design and reuse ideas around the CCS development
community.

http://www.lctn.u-nancy.fr/design/

Feel free to contribute.

--

Fabien Campagne -- [email-masked] | Lab. de Chimie Theorique
phone: +33 (0)3 83 91 20 00  extension 3236 | Nancy, France.
           http://www.lctn.u-nancy.fr/viseur/FC.html