quantum_package/plugins/CISD_SC2_selected/EZFIO.cfg

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