@@ -1199,20 +1199,20 @@ def StructureFactor2(refDict,G,hfx,pfx,SGData,calcControls,parmDict):
11991199 TwMask = np .any (H ,axis = - 1 )
12001200 SQ = 1. / (2. * refl .T [4 ])** 2 #array(blkSize)
12011201 SQfactor = 4.0 * SQ * twopisq #ditto prev.
1202- if 'T' in hType :
1203- if 'P' in calcControls [hfx + 'histType' ]:
1204- FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [14 ])
1205- else :
1206- FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [12 ])
1207- FP = np .repeat (FP .T ,len (SGT )* len (TwinLaw ),axis = 0 )
1208- FPP = np .repeat (FPP .T ,len (SGT )* len (TwinLaw ),axis = 0 )
12091202 Uniq = np .inner (H ,SGMT )
12101203 Phi = np .inner (H ,SGT )
12111204 nOps = len (SGMT )
12121205 if SGData ['SGInv' ]:
12131206 Uniq = np .hstack ((Uniq ,- Uniq ))
12141207 Phi = np .hstack ((Phi ,Phi ))
12151208 nOps *= 2
1209+ if 'T' in hType :
1210+ if 'P' in calcControls [hfx + 'histType' ]:
1211+ FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [14 ])
1212+ else :
1213+ FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [12 ])
1214+ FP = np .repeat (FP .T ,nOps * len (TwinLaw ),axis = 0 )
1215+ FPP = np .repeat (FPP .T ,nOps * len (TwinLaw ),axis = 0 )
12161216 phase = twopi * (np .inner (Uniq ,(dXdata + Xdata ).T ).T + Phi .T ).T
12171217 sinp = np .sin (phase )
12181218 cosp = np .cos (phase )
@@ -1334,8 +1334,8 @@ def StructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict):
13341334 FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [14 ])
13351335 else :
13361336 FP ,FPP = G2el .BlenResTOF (Tdata ,BLtables ,refl .T [12 ])
1337- FP = np .repeat (FP .T ,len ( SGMT ) ,axis = 0 )
1338- FPP = np .repeat (FPP .T ,len ( SGMT ) ,axis = 0 )
1337+ FP = np .repeat (FP .T ,nOps ,axis = 0 )
1338+ FPP = np .repeat (FPP .T ,nOps ,axis = 0 )
13391339 Uniq = np .inner (H ,SGMT ) # array(nSGOp,3,3)
13401340 Phi = np .inner (H ,SGT )
13411341 if SGData ['SGInv' ]:
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