Changeset 2487


Ignore:
Timestamp:
Oct 12, 2016 1:32:34 PM (7 years ago)
Author:
vondreele
Message:

fix unit cell search range for bond distance & angle restraints
fix same for distance/angle calculations

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIIrestrGUI.py

    r2431 r2487  
    243243            dlg.Destroy()
    244244        Factor = bondRestData['Range']
    245         indices = (-1,0,1)
     245        indices = (-2,-1,0,1,2)
    246246        Units = np.array([[h,k,l] for h in indices for k in indices for l in indices])
    247247        origAtoms = Lists['origin']
    … …  
    354354
    355355        Factor = angleRestData['Range']
    356         indices = (-1,0,1)
     356        indices = (-2,-1,0,1,2)
    357357        Units = np.array([[h,k,l] for h in indices for k in indices for l in indices])
    358358        VectA = []

  • trunk/GSASIIstrMain.py

    r2481 r2487  
    500500    Factor = DisAglCtls['Factors']
    501501    Radii = dict(zip(DisAglCtls['AtomTypes'],zip(DisAglCtls['BondRadii'],DisAglCtls['AngleRadii'])))
    502     indices = (-1,0,1)
     502    indices = (-2,-1,0,1,2)
    503503    Units = np.array([[h,k,l] for h in indices for k in indices for l in indices])
    504504    origAtoms = DisAglData['OrigAtoms']
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