Release v0.0.1 · cmelab/cmeutils

What's Changed

Update/GitHub by @jennyfothergill in #2
Feat/gsd utils by @jennyfothergill in #3
Standardize file type handling in gsd_utils by @chrisjonesBSU in #6
Feat/rdf excludebonded by @jennyfothergill in #4
Add utilities so that freud.diffraction.Diffractometer can be used like bitbucket diffractometer code by @jennyfothergill in #8
Create dynamics.py with Freud MSD functionality by @chrisjonesBSU in #9
Add utilities to calculate Order Parameter by @jennyfothergill in #16
Add function to convert xmls to gsds by @jennyfothergill in #20
gsd_rdf that can plot all_atoms by @gwenwhite in #11
Function that calculates centers in a trajectory. by @gwenwhite in #15
Changed snap value in all_atom_rdf function by @gwenwhite in #21
changed value error output in attempt to fix issue #14. by @gwenwhite in #26
Rename function by @gwenwhite in #22
Update pytest workflow to allow environment changes to be tested by @jennyfothergill in #29
Bond length and angle distributions by @chrisjonesBSU in #32
Fix RDF normalization when type A and B are different by @chrisjonesBSU in #30
Add sampler.py with Pymbar by @chrisjonesBSU in #17
Add get_histogram utility, option to return histogram of bond lengths and angles by @chrisjonesBSU in #33
Chris suggested this PR for plotting this 3d heat map type plot. by @JimmyRushing in #34
Add radians option to angle_between_vectors and add value ranges to bond distribution functions. by @chrisjonesBSU in #35
remove hoomd 2 from environment file by @chrisjonesBSU in #36

Full Changelog: https://github.com/cmelab/cmeutils/commits/v0.0.1