mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-17 01:51:47 +02:00
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
|
||
|
|