mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-26 14:31:44 +02:00
EZFIO
This commit is contained in:
parent
6ba232251c
commit
39913c03fd
@ -3,6 +3,11 @@ type: double precision
|
||||
doc: Calculated energy
|
||||
interface: ezfio
|
||||
|
||||
[energy_pt2]
|
||||
type: double precision
|
||||
doc: Calculated energy with pt2 contribution
|
||||
interface: ezfio
|
||||
|
||||
[thresh_dressed_ci]
|
||||
type: Threshold
|
||||
doc: Threshold on the convergence of the dressed CI energy
|
||||
|
Loading…
Reference in New Issue
Block a user