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quantum_package/plugins/Full_CI/EZFIO.cfg

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2015-04-10 00:45:09 +02:00
[energy]
type: double precision
2015-06-17 18:22:08 +02:00
doc: Calculated Selected FCI energy
interface: ezfio
2015-04-10 00:45:09 +02:00
[energy_pt2]
type: double precision
2015-06-17 18:22:08 +02:00
doc: Calculated FCI energy + PT2
interface: ezfio
2015-04-10 00:45:09 +02:00