mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-14 01:53:55 +01:00
11 lines
176 B
INI
11 lines
176 B
INI
[energy]
|
|
type: double precision
|
|
doc: Variational CISD energy
|
|
interface: ezfio
|
|
|
|
[energy_pt2]
|
|
type: double precision
|
|
doc: Estimated CISD energy (including PT2)
|
|
interface: ezfio
|
|
|