soprano.calculate.powder.shrewd#
shrewd.py
Contains a class to define the SHREWD (Spherical Harmonics Reduction or Elimination by a Weighted Distribution) powder averaging scheme. Implementation taken from:
Mattias Edén, Malcolm H. Levitt, “Computation of Orientational Averages in Solid-State NMR by Gaussian Spherical Quadrature”, Journal of Magnetic Resonance, Volume 132, Issue 2, 1998, Pages 220-239, ISSN 1090-7807, https://doi.org/10.1006/jmre.1998.1427.
Classes
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