ENH: Extend get_force_constants
Extend get_force_constants
to be able to return zero padded numpy arrays as force constants (this could also be a simple utility function pad_fc_dict
)
This would be very useful for comparison with force constants from phonopy as well as for feeding data into the io
functions.
Suggestion:
Alternatively we could consider setting up a force constant object which internally would save the minimum required information and be able return force_constants in many different formats (as well as things such as get_fc([0, 1]
)
Edited by Paul Erhart