Consistency for section headings, references, formatting fixes

This commit is contained in:
Robert Harrison 1997-02-21 16:48:22 +00:00
parent aaa40332e2
commit 4e3e2b05da
12 changed files with 80 additions and 88 deletions

View file

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