mailr11293 - /1.3/maths_fns/n_state_model.py


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Posted by edward on July 08, 2010 - 11:56:
Author: bugman
Date: Thu Jul  8 11:56:42 2010
New Revision: 11293

URL: http://svn.gna.org/viewcvs/relax?rev=11293&view=rev
Log:
Fix for the Ln3+ position optimisation with no populations, the target 
function was overwritten.


Modified:
    1.3/maths_fns/n_state_model.py

Modified: 1.3/maths_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/n_state_model.py?rev=11293&r1=11292&r2=11293&view=diff
==============================================================================
--- 1.3/maths_fns/n_state_model.py (original)
+++ 1.3/maths_fns/n_state_model.py Thu Jul  8 11:56:42 2010
@@ -375,7 +375,7 @@
             self.d2Dij_theta = zeros((self.total_num_params, 
self.total_num_params, self.num_align, self.num_spins), float64)
 
             # Set the target function, gradient, and Hessian (paramagnetic 
centre optimisation).
-            if not centre_fixed:
+            if not self.centre_fixed:
                 self.func = self.func_population
                 self.dfunc = None
                 self.d2func = None
@@ -387,7 +387,7 @@
                 self.d2func = self.d2func_population
 
         # Pure tensor optimisation overrides.
-        if model == 'fixed':
+        if model == 'fixed' and self.centre_fixed:
             # The probs are unpacked by self.func in the population model, 
so just override that function.
             self.func = self.func_tensor_opt
             self.dfunc = self.dfunc_tensor_opt




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