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20 lines
373 B
INI
20 lines
373 B
INI
[energy]
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type: double precision
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doc: Calculated Selected |FCI| energy
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interface: ezfio
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size: (determinants.n_states)
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[energy_pt2]
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type: double precision
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doc: Calculated |FCI| energy + |PT2|
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interface: ezfio
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size: (determinants.n_states)
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[cisd_guess]
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type: logical
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doc: If true, the CASSCF starts with a CISD wave function
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interface: ezfio,provider,ocaml
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default: True
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