[ghemical-devel] New here

[Tommi Hassinen]

On Tue, 12 Sep 2006, Oscar Rubio wrote:

> Hello,
>
> I would to start with gchemical, I would like to make code, as far as I can.

Welcome Aboard! It's nice to hear that you are interested.

> I am post-doc resercher at theoretical chemistry lab at the Trinity
> Collegem,  School of Chemistry in Ireland.
>
> I am interested in non-linear optical properties
> and ab intio methods, I would like to get more infromation about the
> contents of gechemical
>
> Thanks, Oscar

Ghemical consists of an OpenGL graphics application part, and of a 
libghemical library that contains functionality related to molecular 
modelling. Libghemical is desinged so that many separate QM and MM methods 
can coexist. Yet there is no QM methods implemented, but interfaces have 
been added to other programs (MPQC and MOPAC7).

Please send us questions if you have problems compiling/installing the 
program, or other questions. I'm now leaving on a one-week vacation but I 
try to read my mail.

Regards,

 	Tommi