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qp2/src/mol_properties/print_mol_properties.irp.f

30 lines
561 B
Fortran

subroutine print_mol_properties()
implicit none
BEGIN_DOC
! Run the propertie calculations
END_DOC
! Energy components
if (calc_energy_components) then
call print_energy_components
endif
! Electric dipole moment
if (calc_dipole_moment) then
call print_dipole_moment
endif
! Transition electric dipole moment
if (calc_tr_dipole_moment .and. N_states > 1) then
call print_transition_dipole_moment
endif
! Oscillator strength
if (calc_osc_str .and. N_states > 1) then
call print_oscillator_strength
endif
end