Open elindgren opened 1 week ago
We can do it for the current version, but cannot do it for older versions.
...but cannot do it for older versions.
Yes of course 😅 My point was just that it could be helpful to have more sanity checks like this in the code.
NEP_CPU
should throw an error when an invalid value forl_max
is presented. For example, here infind_q
:https://github.com/brucefan1983/NEP_CPU/blob/8ec05eb87b5bed0ff3473595adef0232e489b861/src/nep.cpp#L852
Recently had an issue where by mistake an old version of
NEP_CPU
(only support l_max up to 4) was used with a new model with lmax>4. A check like this would have made it easier to catch the mistake earlier.