mirror of https://github.com/QMCPACK/qmcpack.git
39 lines
1.4 KiB
XML
39 lines
1.4 KiB
XML
<simulation method="afqmc">
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<project id="qmc" series="0" />
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<random seed="7" />
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<AFQMCInfo name="info0">
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<parameter name="NMO">9</parameter>
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<parameter name="NAEA">5</parameter>
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<parameter name="NAEB">5</parameter>
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</AFQMCInfo>
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<Hamiltonian info="info0" name="ham0">
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<parameter name="filetype">hdf5</parameter>
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<parameter name="filename">afqmc.h5</parameter>
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</Hamiltonian>
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<Wavefunction info="info0" name="wfn0" type="NOMSD">
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<parameter name="filetype">hdf5</parameter>
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<parameter name="filename">afqmc.h5</parameter>
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<parameter name="cutoff">1e-8</parameter>
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</Wavefunction>
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<WalkerSet name="wset0" type="shared">
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<parameter name="walker_type">CLOSED</parameter>
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</WalkerSet>
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<Propagator info="info0" name="prop0">
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<parameter name="hybrid">yes</parameter>
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</Propagator>
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<execute ham="ham0" info="info0" prop="prop0" wfn="wfn0" wset="wset0">
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<parameter name="blocks">1000</parameter>
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<parameter name="timestep">0.01</parameter>
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<Estimator name="back_propagation">
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<parameter name="naverages">4</parameter>
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<parameter name="block_size">2</parameter>
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<parameter name="ortho">1</parameter>
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<OneRDM />
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<parameter name="nsteps">200</parameter>
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</Estimator>
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<parameter name="steps">10</parameter>
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<parameter name="ncores">1</parameter>
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<parameter name="nWalkers">10</parameter>
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</execute>
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</simulation>
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