Credits¶
freud Developers¶
The following people contributed to the development of freud.
Eric Harper, University of Michigan - Former lead developer
- TBB parallelism
- PMFT module
- NearestNeighbors
- RDF
- Bonding module
- Cubatic order parameter
- Hexatic order parameter
- Pairing2D
Joshua A. Anderson, University of Michigan - Creator
- Initial design and implementation
- IteratorLinkCell
- LinkCell
- Various density modules
- freud.parallel
- Indexing modules
- cluster.pxi
Matthew Spellings - Former lead developer
- Added generic neighbor list
- Enabled neighbor list usage across freud modules
- Correlation functions
- LocalDescriptors class
- interface.pxi
Erin Teich
- Wrote environment matching module
- BondOrder (with Julia Dshemuchadse)
- Angular separation (with Andrew Karas)
- Contributed to LocalQl development
- Eric Irrgang
- Authored kspace CPP code
Chrisy Du
- Authored all Steinhardt order parameters
Antonio Osorio
Vyas Ramasubramani - Lead developer
- Ensured pep8 compliance
- Added CircleCI continuous integration support
- Rewrote docs
- Fixed nematic order parameter
- Add properties for accessing class members
- Various minor bug fixes
Bradley Dice - Lead developer
- Cleaned up various docstrings
- HexOrderParameter bug fixes
- Cleaned up testing code
- Bumpversion support
- Reduced all compile warnings
- Added Python interface for box periodicity
- Added Voronoi support for neighbor lists across periodic boundaries
- Added Voronoi weights for 3D
- Added Voronoi cell volume computation
Richmond Newman
- Developed the freud box
- Solid liquid order parameter
Carl Simon Adorf
- Developed the python box module
Jens Glaser
- Wrote kspace.pxi front-end
- Nematic order parameter
Benjamin Schultz
- Wrote Voronoi module
Bryan VanSaders
Ryan Marson
Tom Grubb
Yina Geng
- Co-wrote Voronoi neighbor list module
- Add properties for accessing class members
Carolyn Phillips
- Initial design and implementation
- Package name
Ben Swerdlow
James Antonaglia
Mayank Agrawal
- Co-wrote Voronoi neighbor list module
William Zygmunt
Greg van Anders
James Proctor
Rose Cersonsky
Wenbo Shen
Andrew Karas
- Angular separation
Paul Dodd
Tim Moore
- Added optional rmin argument to density.RDF
Michael Engel
- Translational order parameter
Source code¶
Eigen (http://eigen.tuxfamily.org/) is included as a git submodule in freud. Eigen is made available under the Mozilla Public License v.2.0 (http://mozilla.org/MPL/2.0/). Its linear algebra routines are used for various tasks including the computation of eigenvalues and eigenvectors.
fsph (https://bitbucket.org/glotzer/fsph) is included as a git submodule in freud. fsph is made available under the MIT license. It is used for the calculation of spherical harmonics, which are then used in the calculation of various order parameters.