Small fix to the example description.

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Theresa Windus 2001-04-09 21:00:23 +00:00
parent 1a66e2020b
commit b09a09bc57

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@ -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"