LIGGGHTS 1.4.6 released

ckloss's picture
Submitted by ckloss on Fri, 10/21/2011 - 11:37

LIGGGHTS 1.4.6 (released 21 October 2011)

+ Extended the neighborlist build criterion to include variable particle radii as trigger for neigh list re-build
+ Added a warning to fix insert/stream if insertion area extends outside the simulation domain so that atoms might be lost during insertion. Thanks to Alice Hager (JKU) for providing a test script.
+ Fixed a rare bug in internal fix handling. Thanks to Mark Bentley (Space Research Institute, Austrian Academy of Sciences) for posting an offending input script.
+ Fixed a parsing issue with pair hybrid. Thanks to Moritz Höfert (BASF) for posting an offending input script.
+ Fixed a bug in compute pair/gran/local where the number of contacts was not counted correctly in parallel, causing LIGGGHTS to crash. Also corrected the output of the periodicity flag for parallel computation. Thanks again to Mark Bentley (Space Research Institute, Austrian Academy of Sciences) for flagging these issues.