Changeset 3961 for trunk/GSASIIspc.py


Ignore:
Timestamp:
May 8, 2019 6:16:01 PM (4 years ago)
Author:
vondreele
Message:

set self.tutorialPath = '.\G2tutorial' if others fail. Don't know if this is best?
Add S301 to trigonal to 3m1 list of generalized mustrain terms - seems to improve things but plot is weird. Might need more work.
use get to fix missing Z problem
set up getting better map density from density slice instead of 3/4D full map

File:
1 edited

Legend:

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  • trunk/GSASIIspc.py

    r3848 r3961  
    30143014    if laue in ['m3','m3m']:
    30153015        return ['S400','S220']
    3016     elif laue in ['6/m','6/mmm','3m1']:
     3016    elif laue in ['6/m','6/mmm']:
    30173017        return ['S400','S004','S202']
    3018     elif laue in ['31m','3']:
    3019         return ['S400','S004','S202','S211']
     3018    elif laue in ['31m','3','3m1']:
     3019        return ['S400','S004','S202','S301']
    30203020    elif laue in ['3R','3mR']:
    30213021        return ['S400','S220','S310','S211']
     
    31023102        Strm.append(h**4+k**4+l**4)
    31033103        Strm.append(3.0*((h*k)**2+(h*l)**2+(k*l)**2))
    3104     elif laue in ['6/m','6/mmm','3m1']:
     3104    elif laue in ['6/m','6/mmm']:
    31053105        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31063106        Strm.append(l**4)
    31073107        Strm.append(3.0*((h*l)**2+(k*l)**2+h*k*l**2))
    3108     elif laue in ['31m','3']:
     3108    elif laue in ['31m','3','3m1']:
    31093109        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31103110        Strm.append(l**4)
    31113111        Strm.append(3.0*((h*l)**2+(k*l)**2+h*k*l**2))
    3112         Strm.append(4.0*h*k*l*(h+k))
     3112        Strm.append(4.0*l*h**3)
    31133113    elif laue in ['3R','3mR']:
    31143114        Strm.append(h**4+k**4+l**4)
     
    32053205    if laue in ['m3','m3m']:
    32063206        S0 = [1000.,1000.]
    3207     elif laue in ['6/m','6/mmm','3m1']:
     3207    elif laue in ['6/m','6/mmm']:
    32083208        S0 = [1000.,1000.,1000.]
    3209     elif laue in ['31m','3']:
     3209    elif laue in ['31m','3','3m1']:
    32103210        S0 = [1000.,1000.,1000.,1000.]
    32113211    elif laue in ['3R','3mR']:
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