At 21:53 31/05/2004 +0200, you wrote:
YY
Can we find a few phase3 output files for Egon
P.
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
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