From 7abd03d2320008c52b9ddfdae601fe3b2a50f706 Mon Sep 17 00:00:00 2001 From: Ricky Kendall Date: Tue, 8 Sep 1998 18:55:22 +0000 Subject: [PATCH] wordsmithing --- doc/user/stepper.tex | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/doc/user/stepper.tex b/doc/user/stepper.tex index 308f4d37a0..fc255d666e 100644 --- a/doc/user/stepper.tex +++ b/doc/user/stepper.tex @@ -1,3 +1,7 @@ +% +% $Id: stepper.tex,v 1.12 1998-09-08 18:53:31 d3e129 Exp $ +% + \label{sec:stepper} The STEPPER module performs a search for critical points on the @@ -177,11 +181,11 @@ initial trust radius should most likely be decreased. -\section{Nuclear Hessian Options} +\section{Initial Nuclear Hessian Options} Stepper uses a modified Fletcher-Powell algorithm to find the transition state or energy minimum on the potential energy hypersurface. There are two files left in the user's permanent -directory that are used to provide an initial hessian to critical +directory that are used to provide an initial hessian to the critical point search algorithm. If these files do not exist then the default is to use a unit matrix as the initial hessian. Once Stepper executes it generates a binary dump file by the name of \verb+name.stpr41+