Fixed division by zero in polarize.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Mon, 29 Feb 2016 14:57:28 +0000 (15:57 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 18 Mar 2016 12:34:00 +0000 (13:34 +0100)
commit9be2d3a3b94c261ba81c589f7e4a29fdbbf6ffd3
tree3d3234ab548f1e005bbea22eba454fac4d37b5da
parent0146032b9bd9dc812d17eeb68493340459275e7e
Fixed division by zero in polarize.

Replaced dr2*gmx::invsqrt(dr2) by std::sqrt(dr2) in polarize.
invsqrt does not work for values that can be zero.

Change-Id: I1ae75bb64c35ac51afd237b2138cbacc86a425dc
src/gromacs/listed-forces/bonded.cpp