[RMCProfile-users] New tool for RMCProfile in GSAS-II
vondreele
vondreele at anl.gov
Tue Feb 11 15:29:31 GMT 2020
Hi All,
There is now a new tool for looking at the results: "Compare" which
compares bonded groups of atoms to standard polyhedra (ochahera &
tetrahedra only) for their orientation, size (i.e. bond length) and
distortions. The tutorial has been updated to show its use. As usual let
me know of successes, failures & bugs.
Best,
Bob
More information about the rmcprofile-users
mailing list