10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-09 15:43:49 +01:00
QuantumPackage/src/mol_properties/print_mol_properties.irp.f

30 lines
561 B
Fortran
Raw Normal View History

2023-03-11 22:31:57 +01:00
subroutine print_mol_properties()
implicit none
BEGIN_DOC
! Run the propertie calculations
END_DOC
2024-02-12 18:18:53 +01:00
! Energy components
if (calc_energy_components) then
call print_energy_components
endif
2023-03-11 22:31:57 +01:00
! 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
2024-02-12 18:18:53 +01:00
call print_oscillator_strength
2023-03-11 22:31:57 +01:00
endif
end