mirror of https://github.com/QMCPACK/qmcpack.git
33 lines
1.4 KiB
XML
33 lines
1.4 KiB
XML
<?xml version="1.0"?>
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<qmcsystem>
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<wavefunction name="psi0" target="e">
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<sposet_collection type="free">
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<sposet name="spo-ud" size="7"/>
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</sposet_collection>
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<determinantset>
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<slaterdeterminant>
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<determinant id="updet" sposet="spo-ud"/>
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<determinant id="dndet" sposet="spo-ud"/>
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</slaterdeterminant>
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<backflow optimize="yes">
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<transformation name="eeB" type="e-e" function="Bspline">
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<correlation cusp="0.0" speciesA="u" speciesB="u" size="5" type="shortrange" init="no">
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<coefficients id="eeuu" type="Array" optimize="yes"> 0.01062989927 0.06173674368 0.08246051331 0.01993157184 0.02842145713</coefficients>
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</correlation>
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<correlation cusp="0.0" speciesA="u" speciesB="d" size="5" type="shortrange" init="no">
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<coefficients id="eeud" type="Array" optimize="yes"> 0.5824836964 0.272210709 0.1644887754 0.07508022611 0.03887818308</coefficients>
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</correlation>
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</transformation>
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</backflow>
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</determinantset>
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<jastrow name="J2" type="Two-Body" function="Bspline" optimize="yes">
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<correlation speciesA="u" speciesB="u" size="5">
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<coefficients id="uu" type="Array" optimize="yes"> 1.070711605 0.8007940734 0.5536996638 0.2534227771 0.1367602245</coefficients>
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</correlation>
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<correlation speciesA="u" speciesB="d" size="5">
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<coefficients id="ud" type="Array" optimize="yes"> 1.841049409 1.15635041 0.6935822234 0.3482003193 0.1525416364</coefficients>
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</correlation>
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</jastrow>
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</wavefunction>
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</qmcsystem>
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