Hey Avogadro community! Just wanted to provide an update for GSoC. I was fortunately able to pass!
I added a lot of features to Avogadro 2 that will probably be helpful for materials science groups. Here is a list of the primary features I was able to add: - Added POSCAR (from Vienna Ab Initio Simulation Package) format reader and writer. This is used by a lot of computational materials science groups. - Added an "Import Crystal from Clipboard" feature. This was present in Avogadro 1 and allows the user to copy a crystal file to their clipboard and import it from there. It is particularly useful for POSCAR format due to the way files are named. - Added a supercell builder. This is helpful for visualization and situations that require a supercell. - Added spglib to Avogadro2. Spglib is a library written in C that allows for many useful crystal operations related to symmetry and space groups. - Added space group perception using spglib. - Added functions using spglib that allow users to primitive reduce a crystal, conventionalize a crystal, and symmetrize a crystal. - Added functions to fill a unit cell by using symmetry operations for a space group, and added functions to reduce a unit cell to its asymmetric unit. They're all very interesting and useful features! More detailed information with pictures can be found in my blog posts: http://avogadro2crystals.blogspot.com/2016/06/recently-those-of-us-in-google-summer.html http://avogadro2crystals.blogspot.com/2016/08/end-of-gsoc.html On the GSoC website, my project is here: https://summerofcode.withgoogle.com/organizations/6290185763422208/#6428631593123840 and my final submission was this blog post here: http://avogadro2crystals.blogspot.com/2016/08/gsoc-summary.html I want to thank Marcus and the Avogadro team for letting me participate this summer! Looking forward to seeing where Avogadro goes next! Patrick
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