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Add docs for "BOH" texture coeff table
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GSASII/GSASIIlattice.py

Lines changed: 17 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -2760,38 +2760,53 @@ def SamAng(Tth,Gangls,Sangl,IFCoup):
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(BA*dBBdF-BB*dBAdF)/BD],[np.zeros_like(BD),np.zeros_like(BD),np.zeros_like(BD)])
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return psi,gam,dPSdA,dGMdA
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'''BOH is even order terms from Table 15.2.1 of H.-J. Bunge, "Texture Analysis in Materials Science",
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Cuvillier Verlag, Gottingen, 1993, p 501. BOH = Blmu for cubic [001] parallel to Z. Used in GetKcl & GetKclKsl
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Dummy odd order terms not needed for texture analysis
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'''
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BOH = {
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'L=2':[[],[],[]],
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'L=4':[[0.30469720,0.36418281],[],[]],
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'L=6':[[-0.14104740,0.52775103],[],[]],
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'L=8':[[0.28646862,0.21545346,0.32826995],[],[]],
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'L=9':[[],[],[]],
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'L=10':[[-0.16413497,0.33078546,0.39371345],[],[]],
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'L=12':[[0.26141975,0.27266871,0.03277460,0.32589402],
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[0.09298802,-0.23773812,0.49446631,0.0],[]],
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'L=13':[[],[],[]],
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'L=14':[[-0.17557309,0.25821932,0.27709173,0.33645360],[],[]],
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'L=15':[[],[],[]],
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'L=16':[[0.24370673,0.29873515,0.06447688,0.00377,0.32574495],
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[0.12039646,-0.25330128,0.23950998,0.40962508,0.0],[]],
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'L=17':[[],[],[]],
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'L=18':[[-0.16914245,0.17017340,0.34598142,0.07433932,0.32696037],
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[-0.06901768,0.16006562,-0.24743528,0.47110273,0.0],[]],
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'L=19':[[],[],[]],
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'L=20':[[0.23067026,0.31151832,0.09287682,0.01089683,0.00037564,0.32573563],
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[0.13615420,-0.25048007,0.12882081,0.28642879,0.34620433,0.0],[]],
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'L=21':[[],[],[]],
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'L=22':[[-0.16109560,0.10244188,0.36285175,0.13377513,0.01314399,0.32585583],
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[-0.09620055,0.20244115,-0.22389483,0.17928946,0.42017231,0.0],[]],
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'L=23':[[],[],[]],
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'L=24':[[0.22050742,0.31770654,0.11661736,0.02049853,0.00150861,0.00003426,0.32573505],
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[0.13651722,-0.21386648,0.00522051,0.33939435,0.10837396,0.32914497,0.0],
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[0.05378596,-0.11945819,0.16272298,-0.26449730,0.44923956,0.0,0.0]],
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'L=25':[[],[],[]],
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'L=26':[[-0.15435003,0.05261630,0.35524646,0.18578869,0.03259103,0.00186197,0.32574594],
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[-0.11306511,0.22072681,-0.18706142,0.05439948,0.28122966,0.35634355,0.0],[]],
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'L=27':[[],[],[]],
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'L=28':[[0.21225019,0.32031716,0.13604702,0.03132468,0.00362703,0.00018294,0.00000294,0.32573501],
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[0.13219496,-0.17206256,-0.08742608,0.32671661,0.17973107,0.02567515,0.32619598,0.0],
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[0.07989184,-0.16735346,0.18839770,-0.20705337,0.12926808,0.42715602,0.0,0.0]],
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'L=29':[[],[],[]],
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'L=30':[[-0.14878368,0.01524973,0.33628434,0.22632587,0.05790047,0.00609812,0.00022898,0.32573594],
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[-0.11721726,0.20915005,-0.11723436,-0.07815329,0.31318947,0.13655742,0.33241385,0.0],
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[-0.04297703,0.09317876,-0.11831248,0.17355132,-0.28164031,0.42719361,0.0,0.0]],
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'L=31':[[],[],[]],
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'L=32':[[0.20533892,0.32087437,0.15187897,0.04249238,0.00670516,0.00054977,0.00002018,0.00000024,0.32573501],
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[0.12775091,-0.13523423,-0.14935701,0.28227378,0.23670434,0.05661270,0.00469819,0.32578978,0.0],
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[0.09703829,-0.19373733,0.18610682,-0.14407046,0.00220535,0.26897090,0.36633402,0.0,0.0]],
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'L=33':[[],[],[]],
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'L=34':[[-0.14409234,-0.01343681,0.31248977,0.25557722,0.08571889,0.01351208,0.00095792,0.00002550,0.32573508],
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[-0.11527834,0.18472133,-0.04403280,-0.16908618,0.27227021,0.21086614,0.04041752,0.32688152,0.0],
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[-0.06773139,0.14120811,-0.15835721,0.18357456,-0.19364673,0.08377174,0.43116318,0.0,0.0]]
@@ -3029,7 +3044,7 @@ def CubicSHarm(L,M,Th,Ph):
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'''
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if L == 0:
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return SphHarmAng(L,M,1,Th,Ph)
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return SphHarmAng(0,0,1,Th,Ph)
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elif L == 3:
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return SphHarmAng(3,2,-1,Th,Ph)
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elif L == 4:

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