mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-08-31 00:03:50 +02:00
15 lines
239 B
INI
15 lines
239 B
INI
|
[energy]
|
||
|
|
type: double precision
|
||
|
|
doc: Calculated Selected CASSD energy
|
||
|
|
interface: ezfio
|
||
|
|
size: (determinants.n_states)
|
||
|
|
|
||
|
|
[energy_pt2]
|
||
|
|
type: double precision
|
||
|
|
doc: Calculated CASSD energy + PT2
|
||
|
|
interface: ezfio
|
||
|
|
size: (determinants.n_states)
|
||
|
|
|
||
|
|
|
||
|
|
|