Subject: Re: CCL:Object-oriented means for computational chemistry programming

From: "Wolf-Dietrich Ihlenfeldt" <[email-masked]>
Date: Sat, 12 Jul 1997 15:16:48 -0600

On Jul 11, 14:10, Bob Goldstein wrote:
> Subject: CCL:Object-oriented means for computational chemistry programming
> >
> >   Some things, like mixed Fortran77 and C, are now so common that there
> >   is a community of people out there who understand pretty well how to
> >
> >Are you offering your services? :-) Perhaps it's not as bad as it
> >looks from my end, but if I had to rely on the kindness of unpaid
>  [...snip ...]
>
>  Hmm.  How about mixed tcl/C ?  The tcl interpreter is done in C,
>  so rebuilding the interpreter is not mixed-language.  But the
>  result would be -- use tcl (slow as molasses, but lots of
>  high level constructs like hashes, regular expressions, flow
>  control) for the putting-together-the-tools part, and let
>  C (or fortran) do the heavy lifting.
>
>  Someone could provide a toolkit of tcl commands written in C,
>  and anyone could put the tools together in new ways using
>  a highlevel scripting language.  I think perl and python
>  would also work as scripting languages here.  This is
>  not just object-oriented (for the programmer) but also
>  somewhat component-oriented (for the application builder or
>  end user).

Such a toolkit does indeed exist. See

http://schiele.organik.uni-erlangen.de/cactvs/

>-- End of excerpt from Bob Goldstein

-- 
Dr. Wolf-D. Ihlenfeldt
Computer Chemistry Center, University of Erlangen-Nuernberg
Naegelsbachstrasse 25, D-91052 Erlangen (Germany)
Tel (+49)-(0)9131-85-6579  Fax (+49)-(0)9131-85-6566
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