path: root/science/gamess/pkg-descr

GAMESS is freely available ab-initio molecular orbital
calculation program calculates energy, molecular structure,
vibrational frequencies from the basic principle of quantum mechanics.

A site license for GAMESS is available at no cost to both academic
and industrial users. Please refer
http://www.msg.ameslab.gov/gamess/download.html
for details.

We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type 
% gamess <somefile.inp>
is enough.

WWW: http://www.msg.ameslab.gov/gamess/gamess.html