From: sp@gtt.lth.rwth-aachen.de (Stephan Petersen)
Newsgroups: sci.physics.plasma
Subject: ChemApp "light", a free version of ChemApp, released
Date: 13 Jan 1998 15:17:18 GMT
Organization: GTT
Message-ID: <69g0hu$1o5$1@nets3.rz.RWTH-Aachen.DE>
Reply-To: support@gtt.lth.rwth-aachen.de



This is to announce the availablility of ChemApp "light", which
is a freely available version of ChemApp.


What is ChemApp?

ChemApp is a programming tool from the area of computational
thermochemistry. It is a programmer's library consisting of a rich
set of subroutines, based on the thermodynamic phase equilibrium
calculation module of ChemSage. It permits the calculation of
complex, multicomponent, multiphase chemical equilibria and their
associated energy balances. ChemApp is available as object code for
a wide range of platforms and as a Dynamic Link Library (DLL).


Why ChemApp "light"?

From the very beginning, ChemApp was available for Linux too. At
that time, I asked whether people would be interested in a free
version of ChemApp for Linux, which had to be somehow scaled down
though. The response was encouraging, and a comment I received more
than once was "Why do you only plan on doing this for Linux??" :-).

It was thus decided to go ahead and produce a version of ChemApp
that could be made available for free and enable everybody
interested in getting to know ChemApp to do so at no risk. One of
the major aims was to provide people with an easy way to find out
whether ChemApp can be linked to their own or third-party
software. This special version of ChemApp was dubbed ChemApp "light"
and the goal was to make it available on as many platforms as
possible, not only for Linux.

One (major) thing that needed to be done in order to get the "light"
version ready was to convert the printed manual to an online
form. At the same time, I wrote dozens of code examples in both
Fortran and C to illustrate the use of the ChemApp subroutines.


How does ChemApp "light" differ from ChemApp?

The differences between ChemApp "light" and the full version
relate to a) the size of the chemical systems it can handle,
and b) the fact that ChemApp "light" cannot perform so called
"target" calculations. For details on these differences, please
see the relevant chapter of the documentation.


What does the ChemApp "light" distribution comprise?

The distribution is divided into two parts: Object code and
documentation.

The object code is available for a number of platforms (more to
be added in time). The object code archive also contains a set
of example thermodynamic data-files, and the program
"ChemFile", which can be used to convert existing thermodynamic
data-files in ChemSage V3.x format to the ChemSage V4/ChemApp
format.

The documentation is available as a set of HTML files, to be
viewed with your web browser. It also contains dozens of code
examples in both Fortran and C.

In addition, an "FAQ" has been made available for ChemApp,
answering some common questions about ChemApp and ChemApp
"light".

To download ChemApp "light", go to the ChemApp "light" web page
(see below).

Where do I look for more info?

The following ressources are relevant to anybody interested in
ChemApp:

GTT's Technical Thermochemistry Web Page
(contains links to all other pages mentioned below):
http://gttserv.lth.rwth-aachen.de/~sp/tt/

The ChemApp web page:
http://gttserv.lth.rwth-aachen.de/~sp/tt/chemapp/chemapp.htm

The ChemApp "light" web page:
http://gttserv.lth.rwth-aachen.de/~sp/tt/chemapp/calight/calight.htm

To take a look at the ChemApp "light" documentation, in case you
don't want to download it:
http://gttserv.lth.rwth-aachen.de/~sp/tt/chemapp/calight/cal-docs/ca.html

The ChemApp FAQ:
http://gttserv.lth.rwth-aachen.de/~sp/tt/chemapp/ca-faq.htm

There is a mailing list ("TT-Announce") that distributes
announcements of additions to GTT's Technical Thermochemistry Web
Page:
http://gttserv.lth.rwth-aachen.de/~sp/tt/tt-ann.htm

For question, suggestion, comments, please contact:
support@gtt.lth.rwth-aachen.de



Stephan Petersen
GTT-Technologies
January 13, 1998


--
Stephan Petersen sp@gtt.lth.rwth-aachen.de

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