mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-09 07:33:53 +01:00
11 lines
206 B
INI
11 lines
206 B
INI
[energy]
|
|
type: double precision
|
|
doc: Calculated CISD_SC2 energy of ground_state
|
|
interface: output
|
|
|
|
[energy_pt2]
|
|
type: double precision
|
|
doc: Calculated CISD_SC2 energy+pt2 of ground_state
|
|
interface: output
|
|
|