2015-04-10 00:45:09 +02:00
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[energy]
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type: double precision
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2015-06-17 18:22:08 +02:00
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doc: Calculated Selected FCI energy
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2015-06-18 15:01:04 +02:00
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interface: ezfio
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2015-04-10 00:45:09 +02:00
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[energy_pt2]
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type: double precision
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2015-06-17 18:22:08 +02:00
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doc: Calculated FCI energy + PT2
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2015-06-18 15:01:04 +02:00
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interface: ezfio
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2015-04-10 00:45:09 +02:00
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2016-11-02 17:39:39 +01:00
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[threshold_generators_pt2]
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type: Threshold
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doc: Thresholds on generators (fraction of the norm) for final PT2 calculation
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interface: ezfio,provider,ocaml
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default: 0.999
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[threshold_selectors_pt2]
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type: Threshold
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doc: Thresholds on selectors (fraction of the norm) for final PT2 calculation
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interface: ezfio,provider,ocaml
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default: 1.
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