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qp2/plugins/local/fci_tc_bi/EZFIO.cfg

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2023-02-07 17:28:11 +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)
[cipsi_tc]
type: character*(32)
doc: TODO
interface: ezfio,provider,ocaml
default: h_tc