mailr9976 - /1.3/prompt/align_tensor.py


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Posted by edward on November 25, 2009 - 15:54:
Author: bugman
Date: Wed Nov 25 15:54:36 2009
New Revision: 9976

URL: http://svn.gna.org/viewcvs/relax?rev=9976&view=rev
Log:
Fixes for the align_tensor.svd() docstring for the relax manual.


Modified:
    1.3/prompt/align_tensor.py

Modified: 1.3/prompt/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/align_tensor.py?rev=9976&r1=9975&r2=9976&view=diff
==============================================================================
--- 1.3/prompt/align_tensor.py (original)
+++ 1.3/prompt/align_tensor.py Wed Nov 25 15:54:36 2009
@@ -375,6 +375,8 @@
         which SVD will be performed is composed of the unitary basis set 
{Sxx, Syy, Sxy, Sxz, Syz}
         layed out as:
 
+        -----
+
             | Sxx1 Syy1 Sxy1 Sxz1 Syz1 |
             | Sxx2 Syy2 Sxy2 Sxz2 Syz2 |
             | Sxx3 Syy3 Sxy3 Sxz3 Syz3 |
@@ -383,9 +385,13 @@
             |  .    .    .    .    .   |
             | SxxN SyyN SxyN SxzN SyzN |
 
+        -----
+
         If basis_set is set to 1, the geometric basis set consisting of the 
stretching and skewing
         parameters Szz and Sxx-yy respectively {Szz, Sxxyy, Sxy, Sxz, Syz} 
will be used instead.
         The matrix is:
+
+        -----
 
             | Szz1 Sxxyy1 Sxy1 Sxz1 Syz1 |
             | Szz2 Sxxyy2 Sxy2 Sxz2 Syz2 |
@@ -395,10 +401,16 @@
             |  .     .     .    .    .   |
             | SzzN SxxyyN SxyN SxzN SyzN |
 
+        -----
+
         The relationships between the geometric and unitary basis sets are:
+
+        -----
 
             Szz = - Sxx - Syy,
             Sxxyy = Sxx - Syy,
+
+        -----
 
         The SVD values and condition number are dependendent upon the basis 
set chosen.
         """




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