SpinW / spinw

SpinW Matlab library for spin wave calculation
http://www.spinw.org
GNU General Public License v3.0
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Add energy resolution option when binning eigenvalues onto grid in sw_egrid #167

Closed RichardWaiteSTFC closed 5 months ago

RichardWaiteSTFC commented 6 months ago

This issue was found during testing of #164 - when fitting powder spectra with resolution convolution, performing the convolution in energy after the binning was leading to large discontinuities in the cost function derivatives wert the parameters.

This PR accounts for the energy resolution 'properly' by considering the resolution at the point the intensity at each eigenvalue is binned onto a grid. Note it assumes the energy resolution is Gaussian and is separable from the Q resolution.

github-actions[bot] commented 6 months ago

Test Results

    4 files    106 suites   13m 30s :stopwatch:   684 tests   653 :white_check_mark: 18 :zzz: 1 :x: 12 :fire: 1 906 runs  1 854 :white_check_mark: 36 :zzz: 4 :x: 12 :fire:

For more details on these failures and errors, see this check.

Results for commit 370fb8cc.

:recycle: This comment has been updated with latest results.