I was wondering if the function get_energy_landscape could be improved so there is an easy (method state.frequencies?) to access the vibrational frequencies of each state.
So far I managed to get them by looping the get_frequencies function on the states, but it is annoying as I have to select the right file name for the engine argument. I hope you can improve it.
Dear SCM developers,
I was wondering if the function get_energy_landscape could be improved so there is an easy (method state.frequencies?) to access the vibrational frequencies of each state.
So far I managed to get them by looping the get_frequencies function on the states, but it is annoying as I have to select the right file name for the engine argument. I hope you can improve it.
Thanks,