Changeset 3222


Ignore:
Timestamp:
Jan 13, 2018 9:39:52 AM (4 years ago)
Author:
vondreele
Message:

fix missing SGGray in incommensurate structures

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3221 r3222  
    22042204        if 'SGFixed' not in generalData['SGData']:
    22052205            generalData['SGData']['SGFixed'] = False
     2206        if 'SGGray' not in generalData['SGData']:
     2207            generalData['SGData']['SGGray'] = False
    22062208       
    22072209        if generalData['Type'] == 'magnetic':
     
    32563258                    XYZ = np.array(atomData[ind][cx:cx+3])
    32573259                    XYZ = np.inner(M,XYZ)+T
    3258                     if Inv:
     3260                    if Inv and not SGData['SGFixed']:
    32593261                        XYZ = -XYZ
    32603262                    XYZ = XYZ+cent+Cell
Note: See TracChangeset for help on using the changeset viewer.