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quantum_package/plugins/eginer/CISD_SC2/EZFIO.cfg

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2015-11-07 11:29:06 +01:00
[energy]
type: double precision
doc: Variational CISD energy
interface: ezfio
[energy_pt2]
type: double precision
doc: Estimated CISD energy (including PT2)
interface: ezfio