Re: [cclib-devel] Interface to the TheoDORE package

[Karol M. L. <kar...@gm...>]

Hi Felix,

That looks great, I look forward to seeing your project expand.

If you need any help or want something fixed/added in cclib,
please let us know here or on github.

Karol

On Nov 12 2014, Felix Plasser wrote:
> 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
> 
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-- 
written by Karol M. Langner
Wed Nov 12 12:05:59 EST 2014