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qp_plugins_scemama/stable/cassd/EZFIO.cfg
2019-01-23 18:25:02 +01:00

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[energy]
type: double precision
doc: Calculated Selected CASSD energy
interface: ezfio
size: (determinants.n_states)
[energy_pt2]
type: double precision
doc: Calculated CASSD energy + PT2
interface: ezfio
size: (determinants.n_states)