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corrected minor typos in previous editing -- jmc

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Judith M Cuta 1997-01-14 21:07:41 +00:00
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doc/user/top-level.tex
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@ -249,7 +249,7 @@ given list of directories;
SGI multi-processor machines (node names {\it coho} and {\it bohr});
\begin{verbatim}
scratch_dir coho:/xfs1/rjh coho:/xfs2/rjh coho:/xfs3/rjh \
bohr:/disk01/rjh bohr/rjh:/disk02/rjh bohr:/disk13/rjh
bohr:/disk01/rjh bohr/rjh:/disk02/rjh bohr:/disk13/rjh
\end{verbatim}
\end{itemize}
@ -728,7 +728,7 @@ execute UNIX commands on machines having a Bourne shell. The input options,
keywords, and defaults for each of these three forms for the \verb+TASK+
directive are discussed in the following subsections.
\subsubsection{Task Directive for Electronic Structure Calculations}
\subsubsection{TASK Directive for Electronic Structure Calculations}
This is the most commonly used version of the \verb+TASK+ directive, and
it has the following form;
@ -759,12 +759,14 @@ choices and gives the string input to identify each selection.
\item \verb+MD_IDEAZ+ --- Molecular dynamics simulation using IDEAZ
\end{itemize}
The string \verb+operation+ is used to specify the calculation that will
be performed in the task. The default operation is a single point energy
evaluation. The following list gives the selection of operations currently
available in NWChem, and the string entry for \verb+operation+ for each one.
\item Operation \newline
\item \verb+operation+ \newline
\begin{itemize}
\item \verb+ENERGY+ --- single point energy evaluation
\item \verb+GRADIENT+ --- evaluate the derivative of the energy with respect to\
@ -783,7 +785,7 @@ available in NWChem, and the string entry for \verb+operation+ for each one.
The user should be aware that some of these operations require
computation of derivatives of the energy.
%Shall we tell them which ones, or was everyone born knowing this?
If analytical derivatives are not available, then they must be
If analytical derivatives are not available, they must be
computed numerically, which can be very expensive.
Here are some examples of the \verb+TASK+ directive, to illustrate
@ -818,7 +820,7 @@ When a \verb+TASK+ directive includes the keyword \verb+IGNORE+,
task failure results in only a warning message being printed, and
code execution continues with the next task.
\subsubsection{Task Directive for Special Operations}
\subsubsection{TASK Directive for Special Operations}
This form of the \verb+TASK+ directive is used in instances where
the task to be performed does not fit the model of the previous
@ -846,7 +848,7 @@ below, with the corresponding string entry for \verb+task+.
This directive also recognizes the keyword \verb+IGNORE+, which allows
execution to continue after a task has failed.
\subsubsection{Task Directive for the Bourne Shell}
\subsubsection{TASK Directive for the Bourne Shell}
This form of the \verb+TASK+ directive is supported only on machines
with a fully UNIX-style operating system. This directive causes specified