local_orbit_composition_calculator crashes kernel if requesting an index out of range #15
Description
Thought I'd bring this up since there isn't a descriptive error message when this occurs.
If you have a local_orbit_composition_calculator call
local_orbit_composition_calculator.value(unitcell_index=j, equivalent_index=i)
with some value of j or i that is not allowed (either out of range based on the system, etc.) the kernel will segfault and crash without warning.
Solution is just to avoid going out of range. Since this is dependent on your system, if you accidentally create a custom local_orbit_composition_calculator and then ask for the value for an ineligible site, you may have no idea why your KMC is crashing.