10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-10-20 06:48:20 +02:00
quantum_package/plugins/eginer/CISD_SC2_selected/EZFIO.cfg
2018-10-19 11:32:58 +02:00

11 lines
204 B
INI

[energy]
type: double precision
doc: Calculated CISD_SC2 energy of ground_state
interface: ezfio
[energy_pt2]
type: double precision
doc: Calculated CISD_SC2 energy+pt2 of ground_state
interface: ezfio