| 77 |
|
* distance-dependent weighting as used in the second reference above. |
| 78 |
|
* |
| 79 |
|
* The selection script can be utilized to look at specific types of |
| 80 |
< |
* central atoms. A dynamic selector can also be utilized. By default, |
| 81 |
< |
* this class computes the Q_{l} and \hat{W}_{l} parameters up to l = 12. |
| 82 |
< |
* The completed configurational averages of these values as |
| 83 |
< |
* well as the distributions of atomic q_{l} and \hat{w}_{l} values |
| 84 |
< |
* are then placed in .boq and .bow files. |
| 80 |
> |
* central atoms. A dynamic selector can also be utilized. By |
| 81 |
> |
* default, this class computes the \f[ Q_{l} \f] and |
| 82 |
> |
* \f[ \hat{W}_{l} \f] parameters up to \f[ l = 12 \f]. The completed |
| 83 |
> |
* configurational averages of these values as well as the |
| 84 |
> |
* distributions of atomic \f[ q_{l} \f] and \f[ \hat{w}_{l} \f] |
| 85 |
> |
* values are then placed in .boq and .bow files. |
| 86 |
|
*/ |
| 87 |
|
class BondOrderParameter : public StaticAnalyser{ |
| 88 |
|
public: |
