r21424 - /trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py -- November 13, 2013 - 15:34

Author: bugman
Date: Wed Nov 13 15:34:40 2013
New Revision: 21424

URL: http://svn.gna.org/viewcvs/relax?rev=21424&view=rev
Log:
The N_state_model.test_pyrotartaric_anhydride_absT system test now uses 
simplex optimisation to pass.

The Newton algorithm cannot be used as the gradients for T = J+D type data 
have not been implemented.


Modified:
    
trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py

Modified: 
trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py?rev=21424&r1=21423&r2=21424&view=diff
==============================================================================
--- 
trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py 
(original)
+++ 
trunk/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py 
Wed Nov 13 15:34:40 2013
@@ -61,7 +61,7 @@
 
 # Minimisation.
 self._execute_uf(uf_name='grid_search', inc=4)
-self._execute_uf(uf_name='minimise', min_algor='newton')
+self._execute_uf(uf_name='minimise', min_algor='simplex')
 
 # Show the tensors.
 self._execute_uf(uf_name='align_tensor.display')