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quantum_package/plugins/CISD_SC2_selected/EZFIO.cfg
2015-06-18 15:04:44 +02:00

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INI

[energy]
type: double precision
doc: Calculated CISD_SC2 energy of ground_state
interface: ezfio
[energy_pt2]
type: double precision
doc: Calculated CISD_SC2 energy+pt2 of ground_state
interface: ezfio