A truncated Newton minimization package, TNPACK, was described in ACM Transactions on Mathematical Software 14, 1 (Mar. 1992), pp. 46-111. Modifications to enhance performance, especially for large-scale minimization of molecular potential functions, are described here. They involve three program segments of TNPACK: negative curvature test, modified Cholesky factorization, and line-search stopping rule.
- G.1.6 [Numerical Analysis]: Optimization - nonlinear programming
- G.4 [Mathematics of Computing]: Mathematical Software
- Indefinite preconditioner
- J.3 [Computer Applications]: Life and Medical Sciences
ASJC Scopus subject areas
- Applied Mathematics