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improved documentation
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jonaslandsgesell authored and fweik committed May 19, 2015
1 parent 904372a commit 2155c05
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions doc/ug/run.tex
Expand Up @@ -408,10 +408,10 @@ \section{Metadynamics}
\variant{2} metadynamics set off
\variant{3} metadynamics set distance \var{pid_1} \var{pid_2} \
\var{d_\mathrm{min}} \var{d_\mathrm{max}} \var{b_\mathrm{height}} \
\var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{d_\mathrm{bins}}
\var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{d_\mathrm{bins}} \var{numrelaxationsteps}
\variant{4} metadynamics set relative_z \var{pid_1} \var{pid_2} \
\var{z_\mathrm{min}} \var{z_\mathrm{max}} \var{b_\mathrm{height}} \
\var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{z_\mathrm{bins}}
\var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{z_\mathrm{bins}} \var{numrelaxationsteps}
\variant{5} metadynamics print_stat current_coord
\variant{6} metadynamics print_stat coord_values
\variant{7} metadynamics print_stat profile
Expand Down Expand Up @@ -451,11 +451,11 @@ \section{Metadynamics}
\item[\var{f_\mathrm{bound}}] strength of the ramping force at the
boundaries of the reaction coordinate interval.
\item[\var{d_\mathrm{bins}}, \var{z_\mathrm{bins}}]: number of bins of
the reaction coordinate. This is only used for the numerical evaluation of the bias function.
the reaction coordinate. This is only used for the numerical evaluation of the bias function.
\item[\var{numrelaxationsteps}] number of relaxation steps before setting a new hill.
\item[\var{profile\_list}] Tcl list of a previous metadynamics
profile.
\item[\var{force\_list}] Tcl list of a previous metadynamics force.
\item[\var{numrelaxationsteps}] number of relaxation steps before setting a new hill.
\end{arguments}

\subsubsection{Details on usage}
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