quantum_package/plugins/MRCC_CASSD/EZFIO.cfg

18 lines
332 B
INI

[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