mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-13 01:23:57 +01:00
12 lines
174 B
INI
12 lines
174 B
INI
[energy]
|
|
type: double precision
|
|
doc: Calculated Selected FCI energy
|
|
interface: ezfio
|
|
|
|
[energy_pt2]
|
|
type: double precision
|
|
doc: Calculated FCI energy + PT2
|
|
interface: ezfio
|
|
|
|
|