Changeset 1663


Ignore:
Timestamp:
Feb 19, 2015 9:13:33 AM (7 years ago)
Author:
vondreele
Message:

change default single crystal extinction coeff to 1e-7 from 1e-10
fix lattice parameter symmetry required constraints in cellVary

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIIO.py

    r1643 r1663  
    23302330            pfx = str(phasedict['pId'])+'::'
    23312331            A,sigA = G2stIO.cellFill(pfx,phasedict['General']['SGData'],self.parmDict,self.sigDict)
    2332             cellSig = G2stIO.getCellEsd(pfx,
    2333                                         phasedict['General']['SGData'],A,
    2334                                         self.OverallParms['Covariance'])  # returns 7 vals, includes sigVol
     2332            cellSig = G2stIO.getCellEsd(pfx,phasedict['General']['SGData'],A,
     2333                self.OverallParms['Covariance'])  # returns 7 vals, includes sigVol
    23352334            cellList = G2lat.A2cell(A) + (G2lat.calc_V(A),)
    23362335            return cellList,cellSig
  • trunk/GSASIIphsGUI.py

    r1658 r1663  
    37503750                                  'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]},
    37513751                                  'Extinction':['Lorentzian','None',
    3752                                                 {'Tbar':0.1,'Cos2TM':0.955,'Eg':[1.e-10,False],'Es':[1.e-10,False],'Ep':[1.e-10,False]},]}                       
     3752                                                {'Tbar':0.1,'Cos2TM':0.955,'Eg':[1.e-7,False],'Es':[1.e-7,False],'Ep':[1.e-7,False]},]}                       
    37533753            UpdateHKLFdata(histoName)
    37543754            data['Histograms'] = UseList
  • trunk/GSASIIstrIO.py

    r1660 r1663  
    628628        return [pfx+'A0',pfx+'A1',pfx+'A2']
    629629    elif SGData['SGLaue'] in ['4/m','4/mmm']:
    630         return [pfx+'A0',pfx+'A2']
     630        G2mv.StoreEquivalence(pfx+'A0',(pfx+'A1',))
     631        return [pfx+'A0',pfx+'A1',pfx+'A2']
    631632    elif SGData['SGLaue'] in ['6/m','6/mmm','3m1', '31m', '3']:
    632         return [pfx+'A0',pfx+'A2']
     633        G2mv.StoreEquivalence(pfx+'A0',(pfx+'A1',pfx+'A3',))
     634        return [pfx+'A0',pfx+'A1',pfx+'A2',pfx+'A3']
    633635    elif SGData['SGLaue'] in ['3R', '3mR']:
    634         return [pfx+'A0',pfx+'A3']                       
     636        G2mv.StoreEquivalence(pfx+'A0',(pfx+'A1',pfx+'A2',))
     637        return [pfx+'A0',pfx+'A1',pfx+'A2']                       
    635638    elif SGData['SGLaue'] in ['m3m','m3']:
    636         return [pfx+'A0',]
     639        G2mv.StoreEquivalence(pfx+'A0',(pfx+'A1',pfx+'A2',))
     640        return [pfx+'A0',pfx+'A1',pfx+'A2']
    637641       
    638642def modVary(pfx,SSGData):
Note: See TracChangeset for help on using the changeset viewer.