Difference between revisions of "Shrewd.m"

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==See also==
 
==See also==
 
[[Kernel_utilities#Integration_grids|Integration grids]], [[Appendix I: powder grids]]
 
[[Kernel_utilities#Integration_grids|Integration grids]], [[Appendix I: powder grids]]
 
  
 
''Version 2.6, authors: [[Ilya Kuprov]]''
 
''Version 2.6, authors: [[Ilya Kuprov]]''

Revision as of 12:30, 25 April 2026

Computes SHREWD weights for a given two- or three-angle spherical grid. See the paper by Eden and Levitt for details on now the algorithm works: http://dx.doi.org/10.1006/jmre.1998.1427

Syntax

    weights=shrewd(alphas,betas,gammas,max_rank,max_error)

Arguments

     alphas - alpha Euler angles (ZYZ active) of the 
              grid, in radians, set to all-zeros for
              two-angle grids

      betas - beta Euler angles (ZYZ active) of the 
              grid, in radians

     gammas - gamma Euler angles (ZYZ active) of the
              grid, in radians

   max_rank - maximum spherical rank to take into consi-
              deration when minimizing residuals

  max_error - maximum residual absolute error per spheri-
              cal function

Outputs

    weights - a vector of grid weights for each 
              [alpha beta gamma] point supplied.

See also

Integration grids, Appendix I: powder grids

Version 2.6, authors: Ilya Kuprov