Changeset 3755
 Timestamp:
 Dec 6, 2018 1:17:49 PM (4 years ago)
 File:

 1 edited
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trunk/GSASIIstrMath.py
r3754 r3755 945 945 :param dict calcControls: 946 946 :param dict ParmDict: 947 948 :returns: copy of new refList  used in calculating numerical derivatives 947 949 948 950 ''' … … 1062 1064 1063 1065 def MagStructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict): 1064 '''Compute magnetic structure factor derivatives numerically on blocks of reflections for powders/nontwins only1066 '''Compute magnetic structure factor derivatives numerically  for powders/nontwins only 1065 1067 input: 1066 1068 … … 1079 1081 1080 1082 trefDict = copy.deepcopy(refDict) 1081 dM = 0.00011083 dM = 1.e6 1082 1084 dFdvDict = {} 1083 1085 for parm in parmDict: … … 3787 3789 dFdvDict = StructureFactorDervTw2(refDict,G,hfx,pfx,SGData,calcControls,parmDict) 3788 3790 else: #correct!! 3789 if Phase['General']['Type'] == 'magnetic': #is this going to work for single crystal mag data? 3790 dFdvDict = MagStructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict) 3791 if Phase['General']['Type'] == 'magnetic': 3792 dFdvDict = MagStructureFactorDerv(refDict,G,hfx,pfx,SGData,calcControls,parmDict) 3793 dFdvDict.update(MagStructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict)) 3791 3794 else: 3792 3795 dFdvDict = StructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict)
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