Author: bugman Date: Tue Aug 26 19:22:26 2014 New Revision: 25316 URL: http://svn.gna.org/viewcvs/relax?rev=25316&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 Newton optimisation. This is to demonstrate that the exponential curve gradient function dfunc() and Hessian function d2func() are implemented correctly. 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=25316&r1=25315&r2=25316&view=diff ============================================================================== --- trunk/test_suite/system_tests/scripts/relax_fit.py (original) +++ trunk/test_suite/system_tests/scripts/relax_fit.py Tue Aug 26 19:22:26 2014 @@ -90,13 +90,13 @@ minimise.grid_search(inc=11) # Minimise. -minimise.execute('bfgs', constraints=False) +minimise.execute('newton', constraints=False) # Monte Carlo simulations. monte_carlo.setup(number=3) monte_carlo.create_data() monte_carlo.initial_values() -minimise.execute('bfgs', constraints=False) +minimise.execute('newton', constraints=False) monte_carlo.error_analysis() # Save the relaxation rates.