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qmcpack
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qmcpack
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tests
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molecules
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FeCO6_b3lyp_pyscf
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pyscf
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qmc-ref
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C.BFD.xml
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CMakeLists.txt
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Fe.BFD.xml
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FeCO6.h5
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FeCO6.structure.xml
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FeCO6.wfnoj.xml
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O.BFD.xml
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det_vmc_noj.in.xml
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det_vmcbatch_noj.in.xml
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vmc_long_noj.in.xml
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vmc_short_noj.in.xml
…