Author: bugman Date: Wed Aug 27 13:38:24 2014 New Revision: 25335 URL: http://svn.gna.org/viewcvs/relax?rev=25335&view=rev Log: Changed the relax_fit.py sample script to use Newton rather than Simplex optimisation.
This can lead to significantly faster optimisation times, as shown in the commit message http://article.gmane.org/gmane.science.nmr.relax.scm/23081. Modified: trunk/sample_scripts/relax_fit.py Modified: trunk/sample_scripts/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/relax_fit.py?rev=25335&r1=25334&r2=25335&view=diff ============================================================================== --- trunk/sample_scripts/relax_fit.py (original) +++ trunk/sample_scripts/relax_fit.py Wed Aug 27 13:38:24 2014 @@ -84,13 +84,13 @@ minimise.grid_search(inc=11) # Minimise. -minimise.execute('simplex', scaling=False, constraints=False) +minimise.execute('newton', constraints=False) # Monte Carlo simulations. monte_carlo.setup(number=500) monte_carlo.create_data() monte_carlo.initial_values() -minimise.execute('simplex', scaling=False, constraints=False) +minimise.execute('newton', constraints=False) monte_carlo.error_analysis() # Save the relaxation rates. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
