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The Stockmayer potential has an anisotropic site. Changing the molecule frame orientation of this site would change the direction of
for the site. In this example, I leave the orientation as 0.0 0.0 0.0 so that
is aligned with the molecule frame
.
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