struct chill::QlmAtom¶

Overview¶

This is the local orientational bond order parameter \(q_{lm}\), of length \(2l+1\). More…

This is the local orientational bond order parameter \(q_{lm}\), of length \(2l+1\).

This complex vector is averaged over the four nearest neighbours, according to the following equation:

\[q_{lm}(i) = \frac{1}{N_b(i)} \Sigma_{j=1}^{N_b(i)} Y_{lm}(r_{ij})\]

Here, \(N_b(i)=4\) is the number of nearest neighbours for the molecule \(i\). This struct contains specifically: