Difference between revisions of "Shrewd.m"
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{{DISPLAYTITLE:shrewd.m}} __NOTOC__ | {{DISPLAYTITLE:shrewd.m}} __NOTOC__ | ||
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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 | 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== | ==Syntax== | ||
| − | weights=shrewd(alphas,betas,gammas,max_rank,max_error) | + | weights=shrewd(alphas,betas,gammas,max_rank,max_error) |
==Arguments== | ==Arguments== | ||
| − | alphas - alpha Euler angles (ZYZ active) of the | + | alphas - alpha Euler angles (ZYZ active) of the |
grid, in radians, set to all-zeros for | grid, in radians, set to all-zeros for | ||
two-angle grids | two-angle grids | ||
| − | + | ||
| − | betas - beta Euler angles (ZYZ active) of the | + | betas - beta Euler angles (ZYZ active) of the |
grid, in radians | grid, in radians | ||
| − | + | ||
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- | ||
deration when minimizing residuals | deration when minimizing residuals | ||
| − | + | ||
max_error - maximum residual absolute error per spheri- | max_error - maximum residual absolute error per spheri- | ||
cal function | cal function | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
==Outputs== | ==Outputs== | ||
| − | weights - a vector of grid weights for each | + | weights - a vector of grid weights for each |
[alpha beta gamma] point supplied. | [alpha beta gamma] point supplied. | ||
==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 15:50, 5 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
