Changeset 5011
 Timestamp:
 Aug 6, 2021 8:54:36 AM (4 months ago)
 Location:
 trunk
 Files:

 2 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIImath.py
r5009 r5011 1730 1730 Am = np.array(MSSdata[3:]).T[:,0,:] #atoms x cos mag mods; only 1 wave used 1731 1731 Bm = np.array(MSSdata[:3]).T[:,0,:] #...sin mag mods 1732 SGMT = np.array([ops[0] .Tfor ops in SGData['SGOps']]) #not .T!!1732 SGMT = np.array([ops[0] for ops in SGData['SGOps']]) #not .T!! 1733 1733 Sinv = np.array([nl.inv(ops[0]) for ops in SSGData['SSGOps']]) 1734 1734 SGT = np.array([ops[1] for ops in SSGData['SSGOps']]) … … 1750 1750 phi = np.inner((XYZSGT[:,:3][nxs,:,:]),modQ).T 1751 1751 TA = np.sum(mst[nxs,:,:]*(XYZSGT[:,:3][nxs,:,:]),axis=1).T 1752 phase = TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs] +phi[nxs,:,:])SGT[:,3][nxs,:,nxs]1752 phase = TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])+SGT[:,3][nxs,:,nxs]phi[nxs,:,:] 1753 1753 psin = np.sin(twopi*phase) #tau,ops,atms 1754 1754 pcos = np.cos(twopi*phase) 
trunk/GSASIIstrMath.py
r5009 r5011 1643 1643 fbsm = np.sum(np.sum(fbms,axis=2),axis=2) 1644 1644 # #put into cartesian space 1645 facm = np.inner(fasm,u Amat) #uBmat best fit for DyMnGe1646 fbcm = np.inner(fbsm,u Amat)1645 facm = np.inner(fasm,uBmat) #uBmat best fit for DyMnGe; +, & ,+ fams, fbms 1646 fbcm = np.inner(fbsm,uBmat) 1647 1647 #form e.F dot product 1648 1648 eDotFa = np.sum(eM[:,nxs,:]*facm,axis=1) #Nref,Ntau
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