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Commit Date  
[r25430] by tlinnet

Removed all references to test values which was received by wrong weighting.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 10:45:07 Tree
[r25429] by tlinnet

Swithced in estimate_r2eff_err() to use the chi2 Jacobian from C code, and Jacobian from python code.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 10:40:07 Tree
[r25428] by tlinnet

Fix to systemtest test_estimate_r2eff_err_methods, after modification of weighting.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 10:40:05 Tree
[r25427] by tlinnet

Fix to weight properly according to if minimising with direct Jacobian or chi2 Jacobian.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 10:40:03 Tree
[r25426] by tlinnet

Increased the number of time points for exponential curve fitting to 3.

2014-08-29 10:10:17 Tree
[r25425] by tlinnet

Fix to systemtest: test_estimate_r2eff_err_auto, which now checks the values for the direct Jacobian.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 09:51:33 Tree
[r25424] by tlinnet

Activated all method try in: systemtest Relax_disp.test_estimate_r2eff_err_methods.

This is to fast estimate errors from all different methods.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 09:50:26 Tree
[r25423] by tlinnet

Implemented the direct Jacobian in Python, to be independent of C-code in development fase.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 09:50:23 Tree
[r25422] by tlinnet

Fix for systemtest: test_estimate_r2eff_err_auto()

The Jacobian to estimate the errors has been changed from the direct function Jacobian, to the
Jacobian of the chi2 function.

This changes the R2eff error predictions, and hence parameter fitting.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

2014-08-29 09:50:20 Tree
[r25421] by bugman

Created the select.display user function.

This simply displays the current spin selections of all spins. In the future it can be extended to
display the interatomic data container selections, domain selections, etc.

2014-08-29 09:34:54 Tree
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