tblite
Light-weight tight-binding framework
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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. | |
Provides the new unconstrained optimization algorithm.