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Molecular dynamics by NMR data analysis

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Commit [r25450] Maximize Restore History

Added a script and log for calculating the numerical chi-squared Jacobian for an exponential curve.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the chi-squared Jacobian using the numdifftools.Jacobian object construct and obtain the
matrix, both at the minimum and at a point away from the minimum. The values will be used to
construct a unit test to check the C module implementation.

Authored by: bugman 2014-08-29

Browse code at this revision

Parent: [r25449]

Child: [r25451]

copied	/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian.py -> /trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py
added	/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log

/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian.py to /trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py

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Molecular dynamics by NMR data analysis

Commit [r25450] Maximize Restore History

/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian.py to /trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py

/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log Diff Switch to side-by-side view