tblite
Light-weight tight-binding framework
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Data Types | Modules | Functions/Subroutines
newuoa.f90 File Reference

Provides the new unconstrained optimization algorithm. More...

Data Types

interface  tblite_fit_newuoa::objective_function
 

Modules

module  tblite_fit_newuoa
 NEWUOA: NEW **U**nconstrained **O**ptimization **A**lgorithm.
 

Functions/Subroutines

subroutine, public tblite_fit_newuoa::newuoa (n, npt, x, rhobeg, rhoend, iprint, maxfun, calfun, handle, error)
 This subroutine seeks the least value of a function of many variables, by a trust region method that forms quadratic models by interpolation. There can be some freedom in the interpolation conditions, which is taken up by minimizing the Frobenius norm of the change to the second.
 

Detailed Description

Provides the new unconstrained optimization algorithm.