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quantum_package/plugins/eginer/CASSD/EZFIO.cfg
2018-10-19 11:32:58 +02:00

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INI

[energy]
type: double precision
doc: Variational CISD energy
interface: ezfio
[energy_pt2]
type: double precision
doc: Estimated CISD energy (including PT2)
interface: ezfio