r25756 - /trunk/auto_analyses/relax_fit.py -- September 11, 2014 - 21:31

Author: tlinnet
Date: Thu Sep 11 21:31:43 2014
New Revision: 25756

URL: http://svn.gna.org/viewcvs/relax?rev=25756&view=rev
Log:
In the auto analysis of exponential fitting, changed the minimisation method 
from simplex to newton, to speed-up the fitting.

This is for master Monte-Carlo simulations.

Modified:
    trunk/auto_analyses/relax_fit.py

Modified: trunk/auto_analyses/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_fit.py?rev=25756&r1=25755&r2=25756&view=diff
==============================================================================
--- trunk/auto_analyses/relax_fit.py    (original)
+++ trunk/auto_analyses/relax_fit.py    Thu Sep 11 21:31:43 2014
@@ -113,13 +113,13 @@
         self.interpreter.minimise.grid_search(inc=self.grid_inc)
 
         # Minimise.
-        self.interpreter.minimise.execute('simplex', scaling=False, 
constraints=False)
+        self.interpreter.minimise.execute('newton', scaling=False, 
constraints=False)
 
         # Monte Carlo simulations.
         self.interpreter.monte_carlo.setup(number=self.mc_sim_num)
         self.interpreter.monte_carlo.create_data()
         self.interpreter.monte_carlo.initial_values()
-        self.interpreter.minimise.execute('simplex', scaling=False, 
constraints=False)
+        self.interpreter.minimise.execute('newton', scaling=False, 
constraints=False)
         self.interpreter.monte_carlo.error_analysis()
 
         # Save the relaxation rates.