mirror of https://github.com/QMCPACK/qmcpack.git
41 lines
1.3 KiB
XML
41 lines
1.3 KiB
XML
<?xml version="1.0"?>
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<simulation method="afqmc">
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<project id="qmc_short_hybrid" series="0"/>
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<AFQMCInfo name="info0">
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<parameter name="NMO">26</parameter>
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<parameter name="NAEA">4</parameter>
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<parameter name="NAEB">4</parameter>
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</AFQMCInfo>
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<Hamiltonian name="ham0" type="SparseGeneral" info="info0">
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<parameter name="filetype">fcidump</parameter>
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<parameter name="filename">./pyscf/fcidump.gamma.dat</parameter>
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<parameter name="cutoff_decomposition">1e-5</parameter>
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</Hamiltonian>
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<Wavefunction name="wfn0" info="info0">
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<ImpSamp name="impsamp0" type="PureSD" init="ground">
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<parameter name="filetype">none</parameter>
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<parameter name="cutoff">1e-5</parameter>
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</ImpSamp>
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<Estimator name="impsamp0"/>
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</Wavefunction>
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<WalkerSet name="wset0" type="distributed">
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</WalkerSet>
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<Propagator name="prop0" info="info0">
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<parameter name="hybrid">yes</parameter>
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</Propagator>
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<execute wset="wset0" ham="ham0" wfn="wfn0" prop="prop0" info="info0">
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<parameter name="timestep">0.01</parameter>
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<parameter name="blocks">500</parameter>
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<parameter name="steps">10</parameter>
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<parameter name="substeps">4</parameter>
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<parameter name="nWalkers">10</parameter>
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</execute>
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</simulation>
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