Ignore:
Timestamp:
Jan 14, 2018 3:58:51 PM (4 years ago)
Author:
vondreele
Message:

fix phase offset in modulations
mark places to fix mag structure factor calc & derivs.
fix mag phase import from GSAS EXP files

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/imports/G2phase.py

    r3221 r3224  
    239239            Ptype = 'nuclear'
    240240        elif NPhas[result] in ['2','3']:
    241             Ptype = 'nuclear'
    242 #            Ptype = 'magnetic'
    243 #            MagDmin = 1.0
     241            Ptype = 'magnetic'
     242            MagDmin = 1.0
    244243        elif NPhas[result] == '4':
    245244            Ptype = 'macromolecular'
     
    266265                SpnFlp = np.where(SpnFlp==0,1,SpnFlp)
    267266                if SGData['SpGrp'][0] in ['A','B','C','I','R','F']:
    268                     SpnFlp += [1,1,1,1]
     267                    SpnFlp = list(SpnFlp)+[1,1,1,1]
    269268            elif 'MXDSTR' in key:
    270269                MagDmin = float(EXPphase[key][:10])               
     
    317316                        mag = np.sqrt(np.sum(mom**2))
    318317                        mom = np.inner(Bmat,mom)*mag
    319                         print (mom,mag)
    320318                        Atoms[-1] = Atom[:7]+list(mom)+Atom[7:]
    321319        elif Ptype == 'macromolecular':
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