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Tjerk Straatsma 1999-06-24 16:00:56 +00:00
parent 592adff182
commit 1b6dae01dc
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doc/user/esp.tex
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@ -107,7 +107,7 @@ atoms \verb.iatom+1. and \verb.katom+1., ... for atoms \verb+jatom+ and \verb+la
\item
A special constraint
\begin{verbatim}
constrain equal <integer iatom> {<integer jatom>}
constrain xhn <integer iatom> {<integer jatom>}
\end{verbatim}
can be used to constrain the set \verb+{iatom,{jatom}}+ to zero charge, and
constrain all atoms in \verb+{jatom}+ to have the same charge. This can be used,