Changeset 5001 for trunk/GSASIIstrMath.py
 Timestamp:
 Jul 27, 2021 11:11:23 AM (4 months ago)
 File:

 1 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIstrMath.py
r4999 r5001 1534 1534 if parmDict[pfx+'isMag']: #This part correct for making modulated mag moments on equiv atoms  Mmod matched drawing & Bilbao drawings 1535 1535 1536 mXYZ = np.array([[XYZ[0] for XYZ in list(G2spc.GenAtom(xyz,SGData,All=True,Move= True))] for xyz in (Xdata+dXdata).T]) #Natn,Nop,xyz1536 mXYZ = np.array([[XYZ[0] for XYZ in list(G2spc.GenAtom(xyz,SGData,All=True,Move=False))] for xyz in (Xdata+dXdata).T]) #Natn,Nop,xyz 1537 1537 if SGData['SGGray']: 1538 1538 mXYZ = np.hstack((mXYZ,mXYZ)) 1539 1539 1540 1540 MmodAR,MmodBR,MmodAI,MmodBI = G2mth.MagMod(glTau,mXYZ,modQ,MSSdata,SGData,SSGData) #Ntau,Nops,Natm,Mxyz cos,sin parts sum matches drawing 1541 MmodA = MmodAR+MmodBR1542 MmodB = MmodAI+MmodBI1543 1541 1544 1542 if not SGData['SGGray']: #for fixed Mx,My,Mz … … 1645 1643 fbsm = np.sum(np.sum(fbms,axis=2),axis=2) 1646 1644 # #put into cartesian space 1647 facm = np.inner(fasm,u Amat.T) #.T better than not1648 fbcm = np.inner(fbsm,u Amat.T)1645 facm = np.inner(fasm,uBmat) #uBmat best fit for DyMnGe 1646 fbcm = np.inner(fbsm,uBmat) 1649 1647 #form e.F dot product 1650 1648 eDotFa = np.sum(eM[:,nxs,:]*facm,axis=1) #Nref,Ntau
Note: See TracChangeset
for help on using the changeset viewer.