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quantum_package/plugins/CAS_SD_ZMQ/EZFIO.cfg

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2016-11-14 17:58:21 +01:00
[energy]
type: double precision
2017-04-20 08:48:06 +02:00
doc: "Calculated CAS-SD energy"
2016-11-14 17:58:21 +01:00
interface: ezfio
[energy_pt2]
type: double precision
2017-04-20 08:48:06 +02:00
doc: "Calculated selected CAS-SD energy with PT2 correction"
2016-11-14 17:58:21 +01:00
interface: ezfio