From b09a09bc57dfa6f9cb3bac3cf4bb1ca856c5d8f8 Mon Sep 17 00:00:00 2001 From: Theresa Windus Date: Mon, 9 Apr 2001 21:00:23 +0000 Subject: [PATCH] Small fix to the example description. --- doc/user/interface.tex | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/user/interface.tex b/doc/user/interface.tex index ecedb5d9d6..b98f213f72 100644 --- a/doc/user/interface.tex +++ b/doc/user/interface.tex @@ -1,4 +1,4 @@ -% $Id: interface.tex,v 1.5 2001-02-06 22:45:55 windus Exp $ +% $Id: interface.tex,v 1.6 2001-04-09 21:00:23 windus Exp $ \label{sec:interface} NWChem has interfaces to several different packages which are listed below. @@ -194,8 +194,8 @@ A word of caution. Be sure to check that the options are producing the desired results. Since the NWChem database is persistent, the input strings should fully define the calculation you wish to have happen. -For instance, if the theory model is DFT/B3LYP/6-311g** and the -sptheory model is DFT/LDA/3-21g, the \verb+DIRDYVTST+ input might look like this +For instance, if the theory model is DFT/LDA/3-21g and the +sptheory model is DFT/B3LYP/6-311g**, the \verb+DIRDYVTST+ input might look like this \begin{verbatim} dirdyvtst theory dft basis 3-21g input "dft\; xc\; end"