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committedJun 6, 2025·
uncomment call to getHStrainShift in G2strMath. It should be available as needed in seq refinement, etc.
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‎GSASII/GSASIIstrMath.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4034,7 +4034,7 @@ def SavePartial(phase,y):
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Uniq = np.inner(refl[:3],SGMT)
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refl[5+im] = GetReflPos(refl,im,0.0,A,pfx,hfx,phfx,calcControls,parmDict) #corrected reflection position - #TODO - what about tabluated offset?
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Lorenz = sind(abs(parmDict[hfx+'2-theta'])/2)*refl[4+im]**4 #TOF Lorentz correction
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# refl[5+im] += GetHStrainShift(refl,im,SGData,phfx,hfx,calcControls,parmDict) #apply hydrostatic strain shift
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refl[5+im] += GetHStrainShift(refl,im,SGData,phfx,hfx,calcControls,parmDict) #apply hydrostatic strain shift
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refl[6+im:8+im] = GetReflSigGamTOF(refl,im,G,GB,phfx,calcControls,parmDict) #peak sig & gam
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refl[12+im:14+im] = GetReflAlpBet(refl,im,hfx,parmDict) #TODO - skip if alp, bet tabulated?
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refl[11+im],refl[15+im],refl[16+im],refl[17+im] = GetIntensityCorr(refl,im,Uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict)

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