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Fixed issue with switching function derivative in PairAIREBO::FLJ

Description

Fixed issue with switching function derivative in PairAIREBO::FLJ

Since we compute dvdw as d vdw / d rij, we have to also compute
dslw as d slw / d rij. Currently, we compute -1/r d slw/d rij,
which leads to incorrect results when the two are later combined.
Alternatively, one could also modify dvdw to be -1/r d vdw/d rij,
which would be a more standard way to do LJ calculations, but this
way seems more consistent.

Details

Event Timeline

Markus Hoehnerbach <hoehnerbach@aices.rwth-aachen.de> committed rLAMMPS904609a7a3a5: Fixed issue with switching function derivative in PairAIREBO::FLJ (authored by Markus Hoehnerbach <hoehnerbach@aices.rwth-aachen.de>).Feb 15 2017, 16:38