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(parent: ba8232e) | patch
fix nbnxn atom sorting with distant bondeds
authorBerk Hess <hess@kth.se>
Fri, 8 Nov 2013 17:44:23 +0000 (18:44 +0100)
committerBerk Hess <hess@kth.se>
Fri, 8 Nov 2013 17:44:23 +0000 (18:44 +0100)
commitd49889d24a2c03513d3b5b8a72b39646651f9c05
tree3ccd8ec90f8c8fdddc802fa3d2a804a5ce908338tree | snapshot
parentba8232e965652669cc0b558a273f81a4d9733d25commit | diff
fix nbnxn atom sorting with distant bondeds

Atoms communicated for bonded interactions can be beyond the non-local
search grid. Only a single cell extra was accounted for, which could
give inconsistency errors. Now any distance is handled correctly.
Fixes #1379

Change-Id: I7b12efeeab4074f2b356c0d0739105ce38371901
src/mdlib/nbnxn_search.c diff | blob | history
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