Commit c1bad59f by Francois Gygi

Restore scaling of alpha_start in CGIonicStepper.C

parent 8ab5bfa1
......@@ -74,6 +74,7 @@ void CGIonicStepper::compute_r(double e0, const vector<vector<double> >& f0)
// rescale displacement and reset the CG optimizer
double fac = max_disp/largest_disp;
xp = x + fac * (xp - x);
cgopt_.set_alpha_start(fac*cgopt_.alpha_start());
cgopt_.reset();
}
......
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