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A Rapidly Convergent Descent Method for Minimization

โœ Scribed by Fletcher, R.; Powell, M. J. D.


Book ID
121680025
Publisher
Oxford University Press
Year
1963
Tongue
English
Weight
482 KB
Volume
6
Category
Article
ISSN
0010-4620

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We apply Shanno's conjugate gradient algorithm to the problem of minimizing the potential energy function associated with molecular mechanical calculations. Shanno's algorithm is stable with respect to roundoff errors and inexact line searches and converges rapidly to a minimum. Equally important, t