Change Log

v0.7.0

Improved API
- Named Tuples for Boxes intelligently converted for user
- inputs to compute functions converted to proper type, made contiguous if necessary
- if a single input is passed to a function requiring two, it is assumed the user wants that input duplicated
Boost dependence removed
- migration of boost bimap to custom implementation

trajectory module removed
box constructor API updated
PMFTXYZ API updated to take in more quaternions for face_orientations, or have a sensible default value
NearestNeighbors:
- over-expanding box fixed
- strict rmax mode added
- ability to get wrapped vectors added
- minor updates to C-API to return full lists from C
Addition of Bonding modules
Addition of local environment matching

Replace boost::shared_array with std::shared_ptr (C++ 11)
Moved all tbb template classes to lambda expressions
Moved trajectory.Box to box.Box
trajectory is deprecated
Fixed Bond Order Diagram and allow for global, local, or orientation correlation
Added python-level voronoi calculation
Fixed issues with compiling on OS X, including against conda python installs
Added code to compute bonds between particles in various coordinate systems

PMFT: Fixed issue involving binning of angles correctly
PMFT: Fixed issue in R12 which prevented compute/accumulate from being called with non-flattened arrays
PMFT: Updated xyz api to allow simpler symmetric orientations to be supplied
PMFT: Updated pmftXY2D api
PMFT: Histograms are properly normalized, allowing for comparison between systems without needing to "zero" the system
fsph: Added library to calculate spherical harmonics via cython
Local Descriptors: Uses fsph, updates to API
Parallel: Added default behavior to setNumThreads and added context manager