Changeset 885 for trunk/GSASIIlattice.py


Ignore:
Timestamp:
Apr 13, 2013 1:38:32 PM (9 years ago)
Author:
vondreele
Message:

add 'Global' to constraints
remove a stray debug print
fix U6toUij so it returns a numpy array
fixes to Q2AV & Q2AVdeg
RB changes - get derivatives in

File:
1 edited

Legend:

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  • trunk/GSASIIlattice.py

    r825 r885  
    240240        Uij - numpy [3][3] array of uij
    241241    """
    242     U = np.zeros(shape=(3,3))
    243     U = [
     242    U = np.array([
    244243        [U6[0],  U6[3],  U6[4]],
    245244        [U6[3],  U6[1],  U6[5]],
    246         [U6[4],  U6[5],  U6[2]]]
     245        [U6[4],  U6[5],  U6[2]]])
    247246    return U
    248247
     
    251250    NB: there is a non numpy version in GSASIIspc: Uij2U
    252251    """
    253     U6 = np.zeros(6)
    254     U6 = [U[0][0],U[1][1],U[2][2],U[0][1],U[0][2],U[1][2]]
     252    U6 = np.array([U[0][0],U[1][1],U[2][2],U[0][1],U[0][2],U[1][2]])
    255253    return U6
    256254
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