mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-04 21:24:02 +01:00
11 lines
185 B
INI
11 lines
185 B
INI
|
[energy]
|
||
|
|
type: double precision
|
||
|
|
doc: Variational Selected CISD energy
|
||
|
|
interface: ezfio
|
||
|
|
|
||
|
|
[energy_pt2]
|
||
|
|
type: double precision
|
||
|
|
doc: Estimated CISD energy (including PT2)
|
||
|
|
interface: ezfio
|
||
|
|
|