Difference between revisions of "Shrewd.m"
| Line 9: | Line 9: | ||
alphas - alpha Euler angles (ZYZ active) of the | alphas - alpha Euler angles (ZYZ active) of the | ||
| − | grid, in radians | + | grid, in radians, set to all-zeros for |
| + | two-angle grids | ||
betas - beta Euler angles (ZYZ active) of the | betas - beta Euler angles (ZYZ active) of the | ||
| Line 15: | Line 16: | ||
gammas - gamma Euler angles (ZYZ active) of the | gammas - gamma Euler angles (ZYZ active) of the | ||
| − | grid,in radians | + | grid, in radians |
| − | |||
max_rank - maximum spherical rank to take into consi- | max_rank - maximum spherical rank to take into consi- | ||
Revision as of 20:16, 29 June 2021
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
