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24 lines
490 B
INI
24 lines
490 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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[do_singles]
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type: logical
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doc: If true, add the singly excited determinants
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interface: ezfio, provider, ocaml
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default: true
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[do_doubles]
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type: logical
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doc: If true, add the doubly excited determinants
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interface: ezfio, provider, ocaml
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default: true
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