mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-12 00:13:39 +01:00
25 lines
463 B
Fortran
25 lines
463 B
Fortran
subroutine print_mol_properties()
|
|
|
|
implicit none
|
|
|
|
BEGIN_DOC
|
|
! Run the propertie calculations
|
|
END_DOC
|
|
|
|
! 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
|