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. 2017 Nov 27;56(6):415–437. doi: 10.1002/mrc.4660
Variable name Variable type Content
inter.coupling.eigs inter.coupling.euler [nspins × nspins] cell array of [1 × 3] matrices Eigenvalues of coupling tensors (in Hz) with Euler angles (in radians). Bilinear coupling is introduced by specifying a coupling between two spins. Quadratic coupling (e.g. quadrupolar) is introduced by specifying a coupling between a spin and itself.
inter.coupling.matrix [nspins × nspins] cell array of [3 × 3] matrices Full coupling tensors as matrices (in Hz). Each element of the cell array is accounted for, so the couplings must be divided by two if a symmetric cell array is supplied.
inter.coupling.scalar [nspins × nspins] cell array of reals Isotropic couplings (in Hz).
inter.coordinates [nspins × 1] cell array of [1 × 3] row vectors Cartesian coordinates of every spin (in Angstroms), used to determine point dipolar interactions. If a cell corresponding to a particular spin is left empty, that spin is assumed to not have any dipolar interactions with the rest of the system.