Changeset 2100


Ignore:
Timestamp:
Dec 18, 2015 1:52:47 PM (6 years ago)
Author:
vondreele
Message:

add CFXraySingleCrystal to list of tutorials
fix bug in AtomInsert? - gave wrong site multiplicities

Location:
trunk
Files:
2 added
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIctrls.py

    r2065 r2100  
    36003600    ['SeqParametric', 'SeqParametric', 'ParametricFitting.htm',
    36013601        'Parametric Fitting and Pseudo Variables for Sequential Fits'],
    3602        
     3602       
     3603    ['CFXraySingleCrystal','CFXraySingleCrystal','CFSingleCrystal.htm',
     3604        'Charge Flipping structure solution with Xray single crystal data'],       
    36033605    ['CFjadarite', 'CFjadarite', 'Charge Flipping in GSAS.htm',
    36043606        'Charge Flipping structure solution for jadarite'],
  • trunk/GSASIIphsGUI.py

    r2097 r2100  
    18271827        Ncol = Atoms.GetNumberCols()
    18281828        E,SGData = G2spc.SpcGroup(generalData['SGData']['SpGrp'])
    1829         Sytsym,Mult = G2spc.SytSym([0,0,0],SGData)
     1829        Sytsym,Mult = G2spc.SytSym([x,y,z],SGData)
    18301830        atId = ran.randint(0,sys.maxint)
    18311831        if generalData['Type'] == 'macromolecular':
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