mirror of
https://github.com/LCPQ/quantum_package
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16 lines
320 B
INI
16 lines
320 B
INI
[energy]
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type: double precision
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doc: Calculated CAS-SD energy
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interface: ezfio
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[energy_pt2]
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type: double precision
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doc: Calculated selected CAS-SD energy with PT2 correction
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interface: ezfio
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[do_ddci]
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type: logical
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doc: If true, remove purely inactive double excitations
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interface: ezfio,provider,ocaml
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default: False
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