Dirac Input
===========
Christoph Jacob <jacob@few.vu.nl>


Dirac Input is a small graphical tool for generating 
molecule files for Dirac.

It is written in Python using pyGTK and libglade.

This is a first version with only a few features,
but it can produce complete molecule files for
using library basis sets.

The program should be self-explaning, if it is not
please feel free tell me. 

Limitations:
------------
* Opening files is not working
* Only library basis sets can be used
* Importing coordinates is not working yet
* Giving coordinates in Angstrom not possible
* When a pointgroup symmetry is given, the a
  certain orientation is assumed

Installation:
-------------
Getting Dirac Input running could be non-trivial
on your system because it depends on a number of
libraries (in quite recent versions).

You need to have installed:
* Python (>= 2.3)
* PyGTK (>= 2.4)
  [ which depends on gtk+ >=2.4 and libglade >= ?? ]

Once you have all the required libraries, just
run "diracinput.py"

For Dirac People in Amsterdam:
------------------------------
On the TC cluster 
- add "/home4/cjacob/share/Modules" to your MODULEPATH variable
- and then do "module load Python" to get a version of
  Python and all the required libraries


