Just look dat cclib. Marcus and I worked on parsing everything in an NWChem
output via a Python script, and putting the data in a Chemical JSON format
for NWChem. I probably should contribute some of this here. Also have a
Fortran90 Chemical JSON writer that allows QC codes to write out directly
to Chemical JSON. Looking to build a C++ analogue as both will cover most
codes.
Bert
On Tue, Mar 1, 2016 at 7:56 AM, Geoffrey Hutchison <geo...@pitt.edu> wrote:
>
> OpenChemistry has been accepted into the Google Summer of Code for 2016 -
> including Open Babel, Avogadro, cclib and 3DMol.js
> https://summerofcode.withgoogle.com/organizations/6290185763422208/
> http://wiki.openchemistry.org/GSoC_Ideas_2016
>
> If you are a student and interested in doing open chemistry software
> development this summer (or know of someone who is), we're definitely
> interested in good proposal ideas.
>
> Looking forward to a summer of great science!
>
> Cheers,
> -Geoff
>
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