mailr17286 - /branches/frame_order_testing/maths_fns/frame_order.py


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Posted by edward on July 19, 2012 - 10:03:
Author: bugman
Date: Thu Jul 19 10:03:54 2012
New Revision: 17286

URL: http://svn.gna.org/viewcvs/relax?rev=17286&view=rev
Log:
Converted a number of objects in the frame order target functions to 
numpy.float16 types.

These were originally float64.  These objects relate to the 3D structure 
which is not very accurate
anyway.  This should help with the movement of data for the multi-processor 
optimisations.


Modified:
    branches/frame_order_testing/maths_fns/frame_order.py

Modified: branches/frame_order_testing/maths_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=17286&r1=17285&r2=17286&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order.py Thu Jul 19 10:03:54 
2012
@@ -258,14 +258,13 @@
             self.paramag_unit_vect = zeros(atomic_pos.shape, float64)
             self.paramag_dist = zeros(self.num_spins, float64)
             self.pcs_const = zeros(self.num_align, float64)
-            self.r_pivot_atom = zeros((3, self.num_spins), float64)
-            self.r_pivot_atom_rev = zeros((3, self.num_spins), float64)
-            self.r_pivot_atom_rev = zeros((3, self.num_spins), float64)
-            self.r_ln_pivot = zeros((3, self.num_spins), float64)
+            self.r_pivot_atom = zeros((3, self.num_spins), float16)
+            self.r_pivot_atom_rev = zeros((3, self.num_spins), float16)
+            self.r_ln_pivot = zeros((3, self.num_spins), float16)
             for j in xrange(self.num_spins):
                 self.r_ln_pivot[:, j] = pivot - self.paramag_centre
             if self.paramag_centre == None:
-                self.paramag_centre = zeros(3, float64)
+                self.paramag_centre = zeros(3, float16)
 
             # Set up the paramagnetic constant (without the interatomic 
distance and in Angstrom units).
             for align_index in range(self.num_align):




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