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) |
| − | == | + | ==Parameters== |
| − | 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 | ||
| − | |||
| − | |||
| − | |||
| − | |||
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==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== | ||
| − | + | [[arclength.m]], [[gaussleg.m]], [[get_hull.m]], [[grid_fibon.m]], [[grid_igloo.m]], [[grid_kron.m]], [[grid_plot.m]], [[grid_polar.m]], [[grid_test.m]], [[grid_trian.m]], [[one_vcell_solidangle.m]], [[repulsion.m]], [[sphtarea.m]], [[sphtrsubd.m]], [[vcell_solidangle.m]], [[voitlander.m]], [[voronoisphere.m]], [[zfs_sampling.m]], [[Kernel_utilities]], [[Appendix I: powder grids]] | |
| − | [[Kernel_utilities | ||
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''Version 2.6, authors: [[Ilya Kuprov]]'' | ''Version 2.6, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:41, 6 June 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)
Parameters
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
arclength.m, gaussleg.m, get_hull.m, grid_fibon.m, grid_igloo.m, grid_kron.m, grid_plot.m, grid_polar.m, grid_test.m, grid_trian.m, one_vcell_solidangle.m, repulsion.m, sphtarea.m, sphtrsubd.m, vcell_solidangle.m, voitlander.m, voronoisphere.m, zfs_sampling.m, Kernel_utilities, Appendix I: powder grids
Version 2.6, authors: Ilya Kuprov
