Difference between revisions of "Hessreg.m"
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RFO regularisation for Newton-Raphson Hessian and gradient pairs. | RFO regularisation for Newton-Raphson Hessian and gradient pairs. | ||
Revision as of 18:28, 5 June 2026
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
