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fix to deformation calcs
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GSASII/GSASIIstrMath.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -553,7 +553,8 @@ def MakePolar(Orient,QB):
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else:
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orKeys = [item for item in orKeys if 'Sl' in item]
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orbs = SHCdict[iAt]
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UVmat = np.inner(nl.inv(SHCdict[-iAt]['UVmat']),Bmat)
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# UVmat = np.inner(nl.inv(SHCdict[-iAt]['UVmat']),Bmat)
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UVmat = np.inner(SHCdict[-iAt]['UVmat'],Bmat)
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R,Th,Ph = G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),UVmat)
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R = 1/R # correct dspacings
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atFlg.append(1.0)

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