[Jmol-users] MOPAC reader in HEAD: test files needed

[Egon W. <eg...@sc...>]

Hi all,

I've partly ported the MOPAC 97/2002 Reader from Jmol v9 to the v10 preseries.
It includes reading of cartesian coordinates, but not the vibrations yet. And 
I added reading partial atomic charges from the output files.

CVS contains two 93 files, which work, but I have not been able to test it 
with files other than these two...

So, I would like to get a few additional test files:

- geometry optimization output from 97 and 2002
- vibration (IR) calculations for 93, 97 and 2002

Please only send files that can be redistributed along with Jmol.

Egon