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New weights in selection
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@ -123,6 +123,16 @@ BEGIN_PROVIDER [ double precision, selection_weight, (N_states) ]
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print *, '# PT2 weight ', real(pt2_match_weight(:),4)
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print *, '# var weight ', real(variance_match_weight(:),4)
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case (8)
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print *, 'Input weights multiplied by pt2-matching'
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selection_weight(1:N_states) = c0_weight(1:N_states) * pt2_match_weight(1:N_states) * state_average_weight(1:N_states)
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print *, '# PT2 weight ', real(pt2_match_weight(:),4)
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case (9)
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print *, 'Input weights multiplied by variance-matching'
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selection_weight(1:N_states) = c0_weight(1:N_states) * variance_match_weight(1:N_states) * state_average_weight(1:N_states)
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print *, '# var weight ', real(variance_match_weight(:),4)
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end select
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print *, '# Total weight ', real(selection_weight(:),4)
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@ -42,7 +42,7 @@ default: 2
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[weight_selection]
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type: integer
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doc: Weight used in the selection. 0: input state-average weight, 1: 1./(c_0^2), 2: rPT2 matching, 3: variance matching, 4: variance and rPT2 matching, 5: variance minimization and matching, 6: CI coefficients 7: input state-average multiplied by variance and rPT2 matching
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doc: Weight used in the selection. 0: input state-average weight, 1: 1./(c_0^2), 2: rPT2 matching, 3: variance matching, 4: variance and rPT2 matching, 5: variance minimization and matching, 6: CI coefficients 7: input state-average multiplied by variance and rPT2 matching 8: input state-average multiplied by rPT2 matching 9: input state-average multiplied by variance matching
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interface: ezfio,provider,ocaml
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default: 2
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