mirror of https://github.com/QMCPACK/qmcpack.git
44 lines
1.6 KiB
TeX
44 lines
1.6 KiB
TeX
\subsection{Optimization}
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\begin{lstlisting}[language=xml,escapeinside={<:}{:>},
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emph={qmc},emphstyle=\bfseries\color{blue}]
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<loop max="6">
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<qmc method="linear" move="pbyp" checkpoint="100" gpu="no">
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<estimator name="LocalEnergy" hdf5="no"/>
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<!-- vmc sample generation -->
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<parameter name="use_drift">yes</parameter>
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<parameter name="warmup_steps">100</parameter>
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<parameter name="blocks">100</parameter>
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<parameter name="steps">100</parameter>
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<parameter name="walkers">1</parameter>
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<parameter name="time_step">0.5</parameter>
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<parameter name="samples">8000</parameter>
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<parameter name="maxWeight">1e6</parameter>
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<parameter name="minWeight">0.0</parameter>
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<parameter name="minKE">-1e6</parameter>
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<cost name="energy"> 0.95 </cost>
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<cost name="variance"> 0.00 </cost>
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<cost name="reweightedvariance"> 0.05 </cost>
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<parameter name="min_walkers"> 0.95 </parameter>
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<parameter name="max_its"> 5 </parameter>
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<parameter name="tries"> 3 </parameter>
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<parameter name="exp0"> -8 </parameter>
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<parameter name="alpha"> 0.01 </parameter>
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<parameter name="xi"> 0.75 </parameter>
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<parameter name="rescale"> yes </parameter>
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<parameter name="usegrad"> yes </parameter>
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<parameter name="linemin"> yes </parameter>
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<parameter name="gradtol"> 5e-3 </parameter>
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</qmc>
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</loop>
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\end{lstlisting}
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\begin{table}[h]
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\begin{center}
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\begin{tabular}{llll}\hline
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\end{tabular}
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\end{center}
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\caption{Parameters ...}
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\label{req.packages}
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\end{table}
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