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qp2/src/mol_properties/EZFIO.cfg

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INI

[print_all_transitions]
type: logical
doc: If true, print the transition between all the states
interface: ezfio,provider,ocaml
default: false
[calc_dipole_moment]
type: logical
doc: If true, the electric dipole moment will be computed
interface: ezfio,provider,ocaml
default: false
[calc_tr_dipole_moment]
type: logical
doc: If true and N_states > 1, the transition electric dipole moment will be computed
interface: ezfio,provider,ocaml
default: false
[calc_osc_str]
type: logical
doc: If true and N_states > 1, the oscillator strength will be computed
interface: ezfio,provider,ocaml
default: false
[calc_energy_components]
type: logical
doc: If true, the components of the energy (1e, 2e, kinetic) will be computed
interface: ezfio,provider,ocaml
default: false