Hessreg.m

RFO regularisation for Newton-Raphson Hessian and gradient pairs.

Syntax

    [H,data]=hessreg(spin_system,H,g,data)

Arguments

  H    - Hessian matrix to be regularised

  g    - gradient computed at the same point as H

  data - diagnostic data structure

Returns

  H    - regularised Hessian

  data - updated diagnostic data structure with
         data.count.rfo incremented by the number
         of RFO iterations taken

See also

bracketing.m, sectioning.m, fmaxnewton.m, lbfgs.m

Version 2.2, authors: David Goodwin, Ilya Kuprov