Changeset 3657


Ignore:
Timestamp:
Oct 9, 2018 10:01:06 AM (3 years ago)
Author:
vondreele
Message:

un do fix in version 3466 - broke all incommensurate structures
add I-centered monoclinics to "standard" list; conversion of bad C- to good I- magnetics

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIlattice.py

    r3656 r3657  
    390390    SGData = Phase['SGData']
    391391    MSG = SGData['MagSpGrp'].split(' ',1)
     392    MSG[0] += ' '
    392393    bns = ''
    393394    if '_' in MSG[0]:
     
    431432            if '_' in MSG[0]:
    432433                bns = MSG[0][2]
    433             Nresult = [' '.join(MSG)+'  ',bns]
    434434            if newcell[4] > 110.:
    435435                if newcell[2] > newcell[0]:
     
    441441                    Mats = MatsB
    442442                else:
     443                    MSG[0] = MSG[0].replace('C ','I ')
    443444                    Mats = MatsB.T
     445            Nresult = [' '.join(MSG)+'  ',bns]
    444446            NTrans = np.inner(Mats,Trans.T)
    445447            return Nresult,Uvec,NTrans
  • trunk/GSASIIphsGUI.py

    r3648 r3657  
    13061306            atomData = data['Atoms']
    13071307            for atom in atomData:
    1308                 if 'SS1' not in atom:
    1309                     atom += [[],[],{'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}]
     1308#                if 'SS1' not in atom:
     1309#                    atom += [[],[],{'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}]
    13101310                if 'waveType' in atom[-1]['SS1']:
    13111311                    waveType = atom[-1]['SS1']['waveType']
  • trunk/GSASIIspc.py

    r3656 r3657  
    37493749    'A2/m':('A 2','A m','A a','A n',
    37503750        'A 2/m','A 2/a','A 2/n',),
     3751    'I2/m':('I 2','I m','I a','I n',
     3752        'I 2/m','I 2/a','I 2/n',),
    37513753   'Pmmm':('P 2 2 2',
    37523754        'P 2 2 21','P 21 2 2','P 2 21 2',
Note: See TracChangeset for help on using the changeset viewer.