Version 1.4.3 (29/07/2016)
Summary of changes:
- Added preliminary
codfcode to calculate cylindrically-averaged molecular orientation functions (w.r.t the defining cylinder axis)
- Reading of DL_POLY OUTPUT files is now much less strict format-wise
Version 1.4.2 (03/09/2015)
Version 1.4.1 (05/08/2015)
Summary of Changes:
- Fixed - maxdist option in pdens did not function as expected.
- Added normalisation (partial), restricted calculation, and cross-term calculations to ardf.
Version 1.4.0 (22/07/15) - Added calculation of angular radial distribution function (ardf). Fixed - Using -cog option in pdens was completely broken.
Version 1.3.9 (08/05/15) - Fixes and improvements to pdens and pdensgauss codes. Added rdfdep to calculate partial RDFs based on other contact criteria. Added clusterab to calculate clusters/paths formed between interaction of specific, multiple AB sites.