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qp2/src/fci/EZFIO.cfg
2019-01-25 11:39:31 +01:00

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240 B
INI

[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)