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qp2/src/fci/EZFIO.cfg

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2019-01-25 11:39:31 +01:00
[energy]
type: double precision
doc: Calculated Selected |FCI| energy
interface: ezfio
size: (determinants.n_states)
[energy_pt2]
type: double precision
doc: Calculated |FCI| energy + |PT2|
interface: ezfio
size: (determinants.n_states)
2022-05-12 11:48:40 +02:00
[energy_extrapolated]
type: double precision
doc: Calculated |FCI| energy + |PT2|
interface: ezfio
size: (determinants.n_states)