quantum_package/plugins/eginer/CISD_SC2_selected/EZFIO.cfg

[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
Add EZFIO.cfg to ezfio_generate_ocaml 2015-03-30 17:36:39 +02:00			`[energy]`
			`type: double precision`
Add print into output on cisd_sc2_selection.irp.f 2015-04-01 15:50:34 +02:00			`doc: Calculated CISD_SC2 energy of ground_state`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio`
Add EZFIO.cfg to ezfio_generate_ocaml 2015-03-30 17:36:39 +02:00
			`[energy_pt2]`
			`type: double precision`
Add print into output on cisd_sc2_selection.irp.f 2015-04-01 15:50:34 +02:00			`doc: Calculated CISD_SC2 energy+pt2 of ground_state`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio`
Add EZFIO.cfg to ezfio_generate_ocaml 2015-03-30 17:36:39 +02:00