Remark on Algorithm 702—the updated truncated Newton minimization package

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.