Changeset 3777 for trunk/GSASIImath.py
 Timestamp:
 Jan 9, 2019 10:51:24 AM (3 years ago)
 File:

 1 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIImath.py
r3774 r3777 1346 1346 Umod = 1.0 1347 1347 if nWaves[3]: 1348 tauM = np.arange(1.,nWaves[ 1]+1nx)[:,nxs]*glTau #Mwaves x ngl1348 tauM = np.arange(1.,nWaves[3]+1nx)[:,nxs]*glTau #Mwaves x ngl 1349 1349 MmodA = Am[:,:,:,nxs]*np.sin(twopi*tauM[nxs,:,nxs,:]) #atoms X waves X 3 X ngl 1350 1350 MmodB = Bm[:,:,:,nxs]*np.cos(twopi*tauM[nxs,:,nxs,:]) #ditto … … 1359 1359 H: array nRefBlk x ops X hklt 1360 1360 HP: array nRefBlk x ops X hklt proj to hkl 1361 nWaves: list number of waves for frac, pos, uij & mag 1361 1362 Fmod: array 2 x atoms x waves (sin,cos terms) 1362 1363 Xmod: array atoms X 3 X ngl … … 1366 1367 ''' 1367 1368 1368 if nWaves[2]: 1369 if nWaves[2]: #uij (adp) waves 1369 1370 if len(HP.shape) > 2: 1370 1371 HbH = np.exp(np.sum(HP[:,:,nxs,nxs,:]*np.inner(HP,Umod),axis=1)) # refBlk x ops x atoms x ngl add Overhauser corr.?
Note: See TracChangeset
for help on using the changeset viewer.