The README File
The README FileFrequency Visualizer reads in Gaussian98 and Gaussian03 output files with
vibrational frequencies. The computed vibrational spectrum (IR or Raman) is
displayed along with the molecule, and the molecule can animate the
vibrations.
A windows .exe file can be found in the Frequency_Visualizer_1_00 directory.
The python source code for this program can be found in the source code
directory. All code in the source code directory is placed in the public
domain with no restrictions on its use or modification.
To run the program directly from the python source code rather than the
windows .exe file, you must have Python, PMW and the Python Imaging Library
installed on your machine. These do not need to be installed if you use the
windows .exe file.
File List for Gaussian_Frequency_Visualizer_in_Python Directory
- Frequency_Visualizer.zip [10550kB] :
Zip file for the Gaussian Frequency Visualizer written in Python
To view individual file from the archive above, please
click [ Here ]
NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to /a\ to fight spam. Before you send e-mail, you
need to change /a\ to @
For example: change joe/a\big123comp.com to joe@big123comp.com
|
