VarTensor
Printed are values of the Da and rhombicity (Rh) for one or more alignment tensors averaged over the ensemble.
For calculations in which each ensemble member has its own alignment tensor, details are printed for each.
resid: the residue number for the pseudo atoms describing the alignment tensor.
GDO: generalized degree of order. [Ref: Tolman et al. JACS 123, 1416 (2001)]:
√((2)/(3) ∑i, jS2i, j),
where Si, j are the elements of the Saupe matrix.
Euler angles for four equivalent orientations are computed using Goldstein's x-convention [Goldstein, "Classical Mechanics" p. 147 ]
If more than two tensors are present, the normalized scalar products are reported [Sass et al. JACS 121, 2047 (1999).]
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