Changeset 1064


Ignore:
Timestamp:
Sep 22, 2013 6:52:42 PM (8 years ago)
Author:
vondreele
Message:

a correction to MC/SA math

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r1063 r1064  
    25952595                Qori = AVdeg2Q(parmDict[pfx+'Qa'],[parmDict[pfx+'Qi'],parmDict[pfx+'Qj'],parmDict[pfx+'Qk']])
    25962596                Pos = np.array([parmDict[pfx+'Px'],parmDict[pfx+'Py'],parmDict[pfx+'Pz']])
    2597                 Xdata.T[iatm:iatm+len(Cart)] = np.inner(Bmat.T,prodQVQ(Qori,Cart)).T+Pos
     2597                Xdata.T[iatm:iatm+len(Cart)] = np.inner(Bmat,prodQVQ(Qori,Cart)).T+Pos
    25982598                iatm += len(Cart)
    25992599            elif parmDict[pfx+'Type'] == 'Atom':
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