chill::QlmAtom Struct Reference
This is the local orientational bond order parameter \(q_{lm}\), of length \(2l+1\). More...
#include <bop.hpp>
Collaboration diagram for chill::QlmAtom:
Data Fields | |
| std::vector< YlmAtom > | ptq |
Detailed Description
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:
- A complex vector of length \(2l+1\), calculated according to the equation above
The documentation for this struct was generated from the following file:
- src/include/internal/bop.hpp