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quantum_package/plugins/CAS_SD/EZFIO.cfg

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Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
[energy]
type: double precision
doc: "Calculated CAS-SD energy"
Update the EZFIO.cfg with the new keyword
2015-06-18 15:01:04 +02:00
interface: ezfio
Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
[energy_pt2]
type: double precision
doc: "Calculated selected CAS-SD energy with PT2 correction"
Update the EZFIO.cfg with the new keyword
2015-06-18 15:01:04 +02:00
interface: ezfio
Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
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