Changes between Version 7 and Version 8 of LatticeComputations


Ignore:
Timestamp:
Jul 6, 2010 2:21:06 PM (11 years ago)
Author:
toby
Comment:

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  • LatticeComputations

    v7 v8  
    1111  1/D^2^ = ''h''^2^*A(1) + ''k''^2^*A(2) + ''l''^2^*A(3) + ''h''*''k''*A(4) + ''h''*''l''*A(5) + ''k''*''l''*A(6)
    1212
    13 a code fragment that shows how this can be used is:
     13In addition, A and B are used to define a pair of 3x3 transformation matrices, where A*x converts Cartesian coordinates x into fractional ones and B does the inverse transform.
     14A code fragment that shows how this can be used is:
    1415{{{
    1516import numpy as np
     
    2021}}}
    2122
    22 In addition, A and B are used to define a pair of 3x3 transformation matrices, where A*x converts Cartesian coordinates x into fractional ones and B does the inverse transform.
    2323
    2424Routine '''GenHBravais''' is used to compute the unique reflection positions for a given Bravais lattice type. This is intended to provide a list of unique d-spacings for a given unit cell and centering setting. If two crystallographically distinct reflections, for example the (300) and the (122) reflections in a cubic cell,