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https://github.com/LCPQ/quantum_package
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@ -21,8 +21,7 @@ default: 0.75
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[correlation_energy_ratio_max]
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type: Normalized_float
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doc: The selection process stops at a fixed correlation ratio (usefull for getting same accuracy between molecules)
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Defined as (E_CI-E_HF)/ (E_CI+PT2 - E_HF)
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If Ratio==1 it will not be used. (E_HF) is not required.
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Defined as (E_CI-E_HF)/ (E_CI+PT2 - E_HF) If Ratio eq 1 it will not be used. (E_HF) is not required.
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interface: ezfio,provider,ocaml
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default: 1.00
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