mirror of https://github.com/QMCPACK/qmcpack.git
23 lines
830 B
XML
23 lines
830 B
XML
<?xml version="1.0"?>
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<simulation>
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<project id="H4" series="0">
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<parameter name="driver_version">legacy</parameter>
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</project>
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<!-- input from gaussian converter -->
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<include href="H4_cjs.ptcl.xml"/>
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<include href="H4_cjs.wfs.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"/>
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<pairpot name="IonElec" type="coulomb" source="ion0"/>
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<constant name="IonIon" type="coulomb" source="ion0" target="ion0"/>
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</hamiltonian>
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<qmc method="vmc" move="pbyp" checkpoint="-1" gpu="no">
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<parameter name="blocks">100</parameter>
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<parameter name="steps">500</parameter>
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<parameter name="warmupsteps">100</parameter>
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<parameter name="timestep">0.05</parameter>
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<parameter name="useDrift">yes</parameter>
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</qmc>
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</simulation>
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