Abstract
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.
Original language | English (US) |
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Pages (from-to) | 108-122 |
Number of pages | 15 |
Journal | ACM Transactions on Mathematical Software |
Volume | 25 |
Issue number | 1 |
DOIs | |
State | Published - Mar 1999 |
Keywords
- Algorithms
- 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
- Performance
ASJC Scopus subject areas
- Software
- Applied Mathematics