### 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) |
---|---|

Pages (from-to) | 108-122 |

Number of pages | 15 |

Journal | ACM Transactions on Mathematical Software |

Volume | 25 |

Issue number | 1 |

State | Published - Mar 1999 |

### Fingerprint

### 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

- Computer Graphics and Computer-Aided Design
- Software
- Safety, Risk, Reliability and Quality
- Applied Mathematics

### Cite this

*ACM Transactions on Mathematical Software*,

*25*(1), 108-122.

**Remark on Algorithm 702 - The updated truncated Newton minimization package.** / Xie, Dexuan; Schlick, Tamar.

Research output: Contribution to journal › Article

*ACM Transactions on Mathematical Software*, vol. 25, no. 1, pp. 108-122.

}

TY - JOUR

T1 - Remark on Algorithm 702 - The updated truncated Newton minimization package

AU - Xie, Dexuan

AU - Schlick, Tamar

PY - 1999/3

Y1 - 1999/3

N2 - 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.

AB - 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.

KW - Algorithms

KW - G.1.6 [Numerical Analysis]: Optimization - nonlinear programming

KW - G.4 [Mathematics of Computing]: Mathematical Software

KW - Indefinite preconditioner

KW - J.3 [Computer Applications]: Life and Medical Sciences

KW - Performance

UR - http://www.scopus.com/inward/record.url?scp=0000743314&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000743314&partnerID=8YFLogxK

M3 - Article

VL - 25

SP - 108

EP - 122

JO - ACM Transactions on Mathematical Software

JF - ACM Transactions on Mathematical Software

SN - 0098-3500

IS - 1

ER -