rmcgibbo/mdtraj — pull request #140 by rmcgibbo (2013-08-06 10:23:59+00:00)
Title: Angle/Dihedral

Optimized angle/dihedral implementations. The angle() implementation was manually looping over numpy vectors, so vectorizing that (in numpy) sped it up by ~100x. The c implementations of angle/dihedral are around 15x faster than the numpy versions.