mirror of https://github.com/QMCPACK/qmcpack.git
19 lines
823 B
XML
19 lines
823 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" twist="0 0 0" href="MultiDet.h5" PBCimages="8 8 8">
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<sposet basisset="LCAOBSet" name="spo-up" size="26">
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<occupation mode="ground"/>
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<coefficient size="26" spindataset="0"/>
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</sposet>
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<sposet basisset="LCAOBSet" name="spo-dn" size="26">
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<occupation mode="ground"/>
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<coefficient size="26" spindataset="0"/>
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</sposet>
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<multideterminant optimize="no" spo_up="spo-up" spo_dn="spo-dn">
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<detlist size="213" type="DETS" nca="0" ncb="0" nea="4" neb="4" nstates="26" cutoff="1e-20" ext_level="0" href="MultiDet.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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