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mirror of https://github.com/LCPQ/quantum_package synced 2025-01-14 06:46:07 +01:00

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INI

[energy]
type: double precision
doc: "Calculated CAS-SCF energy"
interface: ezfio
[energy_pt2]
type: double precision
doc: "Calculated selected CAS-SCF energy with PT2 correction"
interface: ezfio