Changes between Version 7 and Version 8 of LatticeComputations

Timestamp:

Jul 6, 2010 2:21:06 PM (13 years ago)

Author:

toby

Comment:

--

LatticeComputations

@@ -11 +11 @@
   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) 
 
-a code fragment that shows how this can be used is:
+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.
+A code fragment that shows how this can be used is:
 {{{
 import numpy as np
@@ -20 +21 @@
 }}}
 
-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.
 
 Routine '''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,