diagonalize_rotational_hamiltonian Module Subroutine

public module subroutine diagonalize_rotational_hamiltonian(cfg, num_n, n_values, n_states)

Build the rigid-rotor hamiltonian for each N and diagonalize it. Keep eigenenergies and eigenvectors, stored in the eigenH type of n_states !!!!!!!!!!!!!!!!!!!!!!! nonlinear rotors !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!! linear rotors !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

Arguments

Type IntentOptional Attributes Name
type(config_type), intent(in) :: cfg
integer, intent(in) :: num_n
integer, intent(in) :: n_values(:)
type(N_states_type), intent(out) :: n_states(:)