mirror of https://github.com/QMCPACK/qmcpack.git
34 lines
1.1 KiB
XML
34 lines
1.1 KiB
XML
<?xml version="1.0"?>
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<simulation>
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<project id="heg_long_SJ_dmc" series="0">
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<application name="qmcapp" class="serial">
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Sample qmc run for Slater-Jastrow HEG.
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</application>
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<parameter name="driver_version">legacy</parameter>
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</project>
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<include href="heg.ptcl.xml"/>
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<include href="heg.sj.wfs.xml"/>
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<include href="heg.H.xml"/>
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<qmc method="vmc" move="pbyp">
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<parameter name="blocks">100</parameter>
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<parameter name="steps">10</parameter>
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<parameter name="warmupsteps"> 100 </parameter>
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<parameter name="tau">5.0</parameter>
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<parameter name="samples">800</parameter>
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<estimator name="LocalEnergy" hdf5="no"/>
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</qmc>
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<qmc method="dmc" move="pbyp">
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<parameter name="blocks">80</parameter>
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<parameter name="steps">10</parameter>
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<parameter name="tau">0.5</parameter>
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<parameter name="targetWalkers">800</parameter>
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</qmc>
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<qmc method="dmc" move="pbyp">
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<parameter name="warmupsteps">200</parameter>
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<parameter name="blocks">800</parameter>
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<parameter name="steps">100</parameter>
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<parameter name="targetWalkers">800</parameter>
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<parameter name="tau">0.125</parameter>
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</qmc>
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</simulation>
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