[cclib-devel] Interface to the TheoDORE package

[Felix P. <pl...@un...>]

Hi, I just briefly wanted to let you know that I was succesful in 
interfacing cclib to my wavefunction analysis package TheoDORE:
http://theodore-qc.sourceforge.net/

Thanks Karol for pointing this out to me.

So far I was able to use the ORCA and Gaussian packages. Some more 
information here:
https://sourceforge.net/p/theodore-qc/wiki/Program%20specific%20information/

In case you are interested, this is the interface:
https://sourceforge.net/p/theodore-qc/code/ci/master/tree/lib/cclib_interface.py
Just 122 lines to get everything I wanted. Thanks :)

Cheers,
Felix