A truncated Newton minimization package, TNPACK, was described in ACM Trans
actions on Mathematical Software 14, 1 (Mar. 1992), pp. 46-111. Modificatio
ns to enhance performance, especially for large-scale minimization of molec
ular potential functions, are described here. They involve three program se
gments of TNPACK: negative curvature test, modified Cholesky factorization,
and line-search stopping rule.