Fix and Extend set_HAP_refinements() for Size and Mustrain Parameters#305
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AdamCorrao wants to merge 4 commits intoAdvancedPhotonSource:mainfrom
Open
Fix and Extend set_HAP_refinements() for Size and Mustrain Parameters#305AdamCorrao wants to merge 4 commits intoAdvancedPhotonSource:mainfrom
set_HAP_refinements() for Size and Mustrain Parameters#305AdamCorrao wants to merge 4 commits intoAdvancedPhotonSource:mainfrom
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… with set_HAP_refinements
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Summary
This PR enhances the
G2Phase.set_HAP_refinements()method in GSASIIscriptable to properly handle Lorentzian-Gaussian mixing coefficients (LG_mix) for Size and Mustrain parameters, and fixes a bug when setting uniaxial Size and Mustrain values.Changes to
GSASIIscriptable.pyBug fix:
New functionality:
SizeandMustrainHAP parametersExample usage:
Testing Materials
Added testing materials in
test-G2sc-size-strain/directory:G2sc_size_strain_test.ipynb- demonstrates the new functionality with a complete workflowThe test notebook validates that the enhanced
set_HAP_refinements()method correctly: