[Openchemistry-users] GSoC Ideas

David Lonie david.lonie at kitware.com
Wed Apr 27 15:55:38 EDT 2016

Congrats Patrick!

Adding the original set of crystallography tools and display formats from
Avogadro 1 into Avogadro 2 would be my only request, and it looks like
you've got that covered from your summary.

As you know, I wrote most of the crystallography code in both versions, so
feel free to ping me if you have any questions. I'm not actively using or
developing for these projects at the moment, but I'll be happy to help
however I can.


On Wed, Apr 27, 2016 at 3:49 PM, Patrick Avery <psavery at buffalo.edu> wrote:

> Hi there!
> My name is Patrick Avery. I'm doing a google summer of code for Open
> Chemistry. Here is a link to my project:
> https://summerofcode.withgoogle.com/projects/#6428631593123840
> I'm working primarily on advancing materials science aspects of Avogadro
> 2. I'm going to be adding a lot of features that were present in Avogadro 1
> (like identifying the space group of a crystal, symmetrizing a crystal,
> filling a unit cell, building super cells, etc.). I also have some stretch
> goals I may try to reach as well (like assisting with periodic UFF code).
> We're currently in the community bonding period. I was wondering if any of
> you have any specific materials science features that you'd like to be
> implemented into Avogadro 2 over the summer. I have some primary goals that
> I will try to reach first. But I can add suggestions to a list of stretch
> goals that I may be able to reach before the end of the summer.
> Thanks,
> Patrick
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> Openchemistry-users at public.kitware.com
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