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Consistency for section headings, references, formatting fixes
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12 changed files with 80 additions and 88 deletions
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@ -11,7 +11,7 @@ on a specified set of grid points using the molecular orbitals
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from SCF or DFT calculation. An input file to the {\em Insight}
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program is then generated. Different sub-directives are described below.
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\subsection{Title}
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\subsection{{\tt TITLE} --- Title for {\em Insight}}
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\begin{verbatim}
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TITLE
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@ -21,9 +21,7 @@ program is then generated. Different sub-directives are described below.
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This sub-directive specifies a title line for the generated
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input to the {\em Insight} program. Only one line is allowed.
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\subsection{LimitXYZ}
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\subsection{{\tt LIMITXYZ} --- Plot limits}
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\begin{verbatim}
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LIMITXYZ [units <string Units default angstrom>]
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@ -39,7 +37,7 @@ along each direction. The known names for \verb+Units+ are
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\subsection{Spin}
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\subsection{{\tt SPIN} --- Density to be plotted}
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\begin{verbatim}
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SPIN <string Spin default total>
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@ -52,7 +50,7 @@ $\alpha$ and $\beta$ electron densities.
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\subsection{Output}
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\subsection{{\tt OUTPUT} --- Filename for {\em Insight}}
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\begin{verbatim}
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OUTPUT <string File_Name default dplot>
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@ -64,7 +62,7 @@ standard NWCHEM output (LuOut).
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\subsection{Vectors}
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\subsection{{\tt VECTORS} --- MO vector file name}
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\begin{verbatim}
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VECTORS <string File_Name default movecs> [<string File_Name2>]
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@ -77,7 +75,7 @@ files have to match.
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\subsection{Where}
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\subsection{{\tt WHERE} --- Density evaluation}
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\begin{verbatim}
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WHERE <string Where default grid>
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@ -92,8 +90,7 @@ the position of the nuclei and written to the NWChem output) and
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\verb+g++\verb+n+ (both).
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\subsection{Orbitals}
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\subsection{{\tt ORBITAL} --- Orbital sub-space}
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\begin{verbatim}
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ORBITALS [<string Option default density>]
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