Stockmayer

The Stockmayer potential has an anisotropic site. Changing the molecule frame orientation of this site would change the direction of $ \hat{\mu}$ for the site. In this example, I leave the orientation as 0.0 0.0 0.0 so that $ \hat{\mu}$ is aligned with the molecule frame $ \hat{z}$.
2

class 1 site 0.0 0.0 0.0 orient 0.0 0.0 0.0
class 2 site 0.0 0.0 0.0 orient 0.0 0.0 0.0

matrix
1 1 lj 1.0 1.0 1.0 1.0
2 2 dipole 1.0 1.0



David Wales 2017-11-23