From 6309c57311112d785414a4e4e47bdee381ee355e Mon Sep 17 00:00:00 2001 From: Bert de Jong Date: Thu, 20 Feb 2003 01:33:07 +0000 Subject: [PATCH] Updated capabilities of analytical hessian. --- doc/user/hess.tex | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/user/hess.tex b/doc/user/hess.tex index 7ddc9872f1..51d3bcc95a 100644 --- a/doc/user/hess.tex +++ b/doc/user/hess.tex @@ -1,10 +1,10 @@ -% $Id: hess.tex,v 1.1 2002-02-13 18:17:11 windus Exp $ +% $Id: hess.tex,v 1.2 2003-02-20 01:33:07 bert Exp $ \label{sec:hess} This section relates to the computation of analytic hessians which -are available for open and closed shell SCF and for closed shell +are available for open and closed shell SCF, except ROHF and for closed shell DFT. Analytic hessians are not currently available for SCF or DFT -calculations with ECPs or for charge fitting with DFT. The current +calculations relativistic all-electron methodologies or for charge fitting with DFT. The current algorithm is fully in-core and does not use symmetry. This will be changed in the next release.