mirror of https://github.com/QMCPACK/qmcpack.git
15 lines
582 B
XML
15 lines
582 B
XML
<?xml version="1.0"?>
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<qmcsystem>
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<wavefunction name="psi0" target="e">
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<determinantset type="MolecularOrbital" name="LCAOBSet" source="ion0" transform="yes" href="gold.orbs.h5">
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<sposet basisset="LCAOBSet" name="spo-up" size="16">
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<occupation mode="ground"/>
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<coefficient size="16" spindataset="0"/>
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</sposet>
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<multideterminant optimize="no" spo_0="spo-up">
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<detlist size="4" type="DETS" nc0="0" ne0="5" nstates="16" cutoff="1e-20" href="gold.orbs.h5"/>
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</multideterminant>
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</determinantset>
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</wavefunction>
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</qmcsystem>
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