r25284 - /trunk/test_suite/system_tests/scripts/relax_fit.py -- August 26, 2014 - 12:51

Author: bugman
Date: Tue Aug 26 12:51:21 2014
New Revision: 25284

URL: http://svn.gna.org/viewcvs/relax?rev=25284&view=rev
Log:
Switched the optimisation algorithm in 
test_suite/system_tests/scripts/relax_fit.py.

This script, used by the Relax_fit.test_curve_fitting_height and 
Relax_fit.test_curve_fitting_volume
system tests, now uses the BFGS optimisation.  This is to demonstrate that 
the exponential curve
gradient function dfunc() is implemented correctly and that more advanced 
optimisation algorithms
can be used (excluding those that require the full Hessian d2func() function).


Modified:
    trunk/test_suite/system_tests/scripts/relax_fit.py

Modified: trunk/test_suite/system_tests/scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_fit.py?rev=25284&r1=25283&r2=25284&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_fit.py  (original)
+++ trunk/test_suite/system_tests/scripts/relax_fit.py  Tue Aug 26 12:51:21 
2014
@@ -90,13 +90,13 @@
 minimise.grid_search(inc=11)
 
 # Minimise.
-minimise.execute('simplex', constraints=False)
+minimise.execute('bfgs', constraints=False)
 
 # Monte Carlo simulations.
 monte_carlo.setup(number=3)
 monte_carlo.create_data()
 monte_carlo.initial_values()
-minimise.execute('simplex', constraints=False)
+minimise.execute('bfgs', constraints=False)
 monte_carlo.error_analysis()
 
 # Save the relaxation rates.