mirror of https://github.com/QMCPACK/qmcpack.git
22 lines
890 B
XML
22 lines
890 B
XML
<?xml version="1.0"?>
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<simulation>
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<project id="vmc_short-ref" series="0"/>
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<include href="../CHN.structure.xml"/>
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<include href="../CHN.wfj.xml"/>
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<hamiltonian name="h0" type="generic" target="e">
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<pairpot name="ElecElec" type="coulomb" source="e" target="e" physical="true"/>
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<pairpot name="IonIon" type="coulomb" source="ion0" target="ion0"/>
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<pairpot name="IonElec" type="coulomb" source="ion0" target="e"/>
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</hamiltonian>
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<qmc method="vmc" move="pbyp" checkpoint="-1">
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<estimator name="LocalEnergy" hdf5="no"/>
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<parameter name="samples">160000</parameter>
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<parameter name="steps">1</parameter>
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<parameter name="substeps">5</parameter>
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<parameter name="warmupSteps">20</parameter>
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<parameter name="blocks">200</parameter>
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<parameter name="timestep">0.5</parameter>
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<parameter name="usedrift">no</parameter>
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</qmc>
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</simulation>
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