quantum_package/plugins/MRCC_CASSD/EZFIO.cfg

[energy]
type: double precision
doc: Calculated energy
interface: ezfio

[thresh_mrcc]
type: Threshold
doc: Threshold on the convergence of the MRCC energy
interface: ezfio,provider,ocaml
default: 1.e-5

[n_it_mrcc_max]
type: Strictly_positive_int
doc: Maximum number of MRCC iterations
interface: ezfio,provider,ocaml
default: 10
Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00			`[energy]`
			`type: double precision`
			`doc: Calculated energy`
			`interface: ezfio`
Updated lambda MRCC 2016-03-29 14:13:02 +02:00
			`[thresh_mrcc]`
			`type: Threshold`
			`doc: Threshold on the convergence of the MRCC energy`
			`interface: ezfio,provider,ocaml`
Improved MRCC 2016-03-30 21:33:38 +02:00			`default: 1.e-5`
Updated lambda MRCC 2016-03-29 14:13:02 +02:00
			`[n_it_mrcc_max]`
			`type: Strictly_positive_int`
			`doc: Maximum number of MRCC iterations`
			`interface: ezfio,provider,ocaml`
Improved MRCC 2016-03-30 21:33:38 +02:00			`default: 10`
Updated lambda MRCC 2016-03-29 14:13:02 +02:00