mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-06 22:24:00 +01:00
11 lines
197 B
INI
11 lines
197 B
INI
[energy]
|
|
type: double precision
|
|
doc: "Calculated CAS-SD energy"
|
|
interface: ezfio
|
|
|
|
[energy_pt2]
|
|
type: double precision
|
|
doc: "Calculated selected CAS-SD energy with PT2 correction"
|
|
interface: ezfio
|
|
|