Commit a39e7450 by Francois Gygi

synchronize positions and velocities


git-svn-id: http://qboxcode.org/svn/qb/trunk@990 cba15fb0-1239-40c8-b417-11db7ca47a34
parent a21b94ad
......@@ -86,5 +86,6 @@ void CGIonicStepper::compute_r(double e0, const vector<vector<double> >& f0)
constraints_.enforce_r(r0_,rp_);
rm_ = r0_;
r0_ = rp_;
atoms_.sync_positions(r0_);
atoms_.set_positions(r0_);
}
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