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Bending potentials

A bending type is defined by a triplet of atom types, a functional form and the corresponding parameters values. The order of the atom types correspond to the numerical order of the figure.

Image title
A bending angle between atoms 1, 2 and 3

The bending angle \(\theta\) is defined by:

\[ \theta = \arccos{\frac{\mathbf{r}_{21}\cdot \mathbf{r}_{23}}{r_{21}r_{23}}} \]

The following types of bending potentials are defined in exastamp: