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