GitHub repository: yayahjb/ncdist
Primary language: C++
Created: 2016-12-04T19:21:56Z
Description: ncdist is a package of two utilities built on the Niggli-Cone cell distance discussed in [Andrews, L. C.,  Bernstein, H. J. (2014). "The geometry of Niggli reduction: BGAOL -- embedding Niggli reduction and analysis of boundaries". Journal of applied crystallography, 47(1), 346-359.] which provides a sensitive and reliable metric for the distance between crystallographic unit cells.  A shell command line program ncdist is provided as well as a shared library rcpp_ncdist for use of ncdist from R.