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SVN archive Commit Log


Commit Date  
[r19854] by bugman

Expanded the number of model list variables in specific_analyses.relax_disp.variables.

This is to include lists which are specific to CPMG-type and R1rho-type experiments.

2013-06-03 18:16:09 Tree
[r19853] by bugman

Docstring fixes for the lib.dispersion.equations module.

2013-06-03 17:58:09 Tree
[r19852] by bugman

Updated the relax_disp.select_model user function docstring for the R2eff error analysis.

This properly describes how the R2eff/R1rho errors are calculated for the fixed relaxation time
period experiments.

2013-06-03 17:54:38 Tree
[r19851] by bugman

Created the lib.dispersion.equations.calc_two_point_r2eff_err() function.

This complements the lib.dispersion.equations.calc_two_point_r2eff() function and is used by the
dispersion calculate() method to abstract the mathematics.

2013-06-03 17:53:30 Tree
[r19850] by bugman

Better checking of optimisation in the Relax_disp system tests.

This affects the Relax_disp.test_hansen_cpmg_data_LM63 and Relax_disp.test_hansen_cpmg_data_CR72
system tests. Instead of using the auto-analysis, these tests now set the initial parameters close
to the minimum, skip the grid search, and perform a low precision optimisation to reach the minimum.
This is important because the low quality grid search and optimisation can not always find the real
minimum.

2013-06-03 10:06:06 Tree
[r19849] by bugman

Fix for the Relax_disp.test_hansen_cpmgfit_input system test.

This is for the recent CPMGFit batch file changes.

2013-06-03 09:44:49 Tree
[r19848] by bugman

Created the Relax_disp.test_hansen_cpmg_data_auto_analysis system test.

This is designed to fully test the dispersion auto-analysis for CPMG-type data.

2013-06-03 09:36:52 Tree
[r19847] by bugman

Updated the CPMGFit batch file.

2013-06-03 09:11:12 Tree
[r19846] by bugman

Fix for the CPMGFit batch file creation.

The command line options are now correct and output is redirected to output files.

2013-06-03 09:10:16 Tree
[r19845] by bugman

Updated some NESSY results in the software comparison document.

2013-06-03 08:58:14 Tree
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