l_max

It sets the angular descriptors, see Sect. II.C of [Fan2022b]. The syntax is:

l_max <l_max_3b> {<has_q_222> <has_q_1111> <has_q_112> <has_q_1122>}

where l_max_3b sets the limit for the three-body descriptors and has_q_222, has_q_1111, has_q_112, and has_q_1122 optionally specify which four-body and five-body descriptors are used.

\(l_\mathrm{max}^\mathrm{3b}\) can take values from 0 to 8, and has_q_222, has_q_1111, has_q_112, and has_q_1122 can be zero (not to use) or nonzero (to use).

The default values are \(l_\mathrm{max}^\mathrm{3b}=4\) and only has_q_222 is nonzero.