Changeset 4651 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Nov 7, 2020 5:14:28 PM (15 months ago)
Author:
vondreele
Message:

problem with "generalized" mustrain for R3 now fixed.The S301 term should not have been present.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIspc.py

    r4562 r4651  
    30463046    if laue in ['m3','m3m']:
    30473047        return ['S400','S220']
    3048     elif laue in ['6/m','6/mmm','3m1']:
     3048    elif laue in ['6/m','6/mmm','3m1','3']:
    30493049        return ['S400','S004','S202']
    3050     elif laue in ['31m','3']:
     3050    elif laue in ['31m',]:
    30513051        return ['S400','S004','S202','S301']
    30523052    elif laue in ['3R','3mR']:
     
    31343134        Strm.append(h**4+k**4+l**4)
    31353135        Strm.append(3.0*((h*k)**2+(h*l)**2+(k*l)**2))
    3136     elif laue in ['6/m','6/mmm','3m1']:
     3136    elif laue in ['6/m','6/mmm','3m1','3']:
    31373137        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31383138        Strm.append(l**4)
    31393139        Strm.append(3.0*((h*l)**2+(k*l)**2+h*k*l**2))
    3140     elif laue in ['31m','3']:
     3140    elif laue in ['31m',]:
    31413141        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31423142        Strm.append(l**4)
     
    32413241        S0 = [1000.,1000.,1000.]
    32423242    elif laue in ['31m','3','3m1']:
    3243         S0 = [1000.,1000.,1000.,1000.]
     3243        S0 = [1000.,1000.,1000.]
    32443244    elif laue in ['3R','3mR']:
    32453245        S0 = [1000.,1000.,1000.,1000.]
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