Author: bugman Date: Tue Aug 26 12:24:57 2014 New Revision: 25280 URL: http://svn.gna.org/viewcvs/relax?rev=25280&view=rev Log: Fix for the script for calculating the numerical gradient for an exponential curve. The off-minimum derivative was not correctly calculated. Modified: trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.log trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.py Modified: trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.log URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.log?rev=25280&r1=25279&r2=25280&view=diff ============================================================================== --- trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.log (original) +++ trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.log Tue Aug 26 12:24:57 2014 @@ -1,4 +1,4 @@ The gradient at [1.0, 1000.0] is: [-1.0995282792650802e-09, 2.1826111665238544e-12] The gradient at [2.0, 500.0] is: - [722.67864120737488, -11.564651301654292] + [456.36655522098829, -10.8613338920982] Modified: trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.py?rev=25280&r1=25279&r2=25280&view=diff ============================================================================== --- trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.py (original) +++ trunk/test_suite/shared_data/curve_fitting/numeric_gradient/integrate.py Tue Aug 26 12:24:57 2014 @@ -63,8 +63,8 @@ print("The gradient at %s is:\n %s" % ([R, I0], [grad_R, grad_I])) # The numeric gradient off the minimum. -R_off = 2.0 -I0_off = 500.0 -grad_R = derivative(func_R, R_off, dx=1e-5, order=11) -grad_I = derivative(func_I, I0_off, dx=1e-5, order=11) -print("The gradient at %s is:\n %s" % ([R_off, I0_off], [grad_R, grad_I])) +R = 2.0 +I0 = 500.0 +grad_R = derivative(func_R, R, dx=1e-5, order=11) +grad_I = derivative(func_I, I0, dx=1e-5, order=11) +print("The gradient at %s is:\n %s" % ([R, I0], [grad_R, grad_I]))