Commit | Date | |
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[r21490]
by
bugman
Improvements to all of the R1rho model descriptions in the dispersion chapter of the manual. |
2013-11-17 16:56:41 | Tree |
2013-11-17 16:41:01 | Tree | |
[r21488]
by
bugman
Added the 'TAP03' model to the relax user manual. This is the Trott, Abergel and Palmer 2003 R1rho analytic model for 2-site off-resonance exchange. This follows the tutorial for adding relaxation dispersion models at: The 'TAP03' model was already partly in the manual, however it was listed as unimplemented. All of |
2013-11-17 16:39:33 | Tree |
[r21487]
by
bugman
Added the 'TAP03' model to the dispersion auto-analysis. This is the Trott, Abergel and Palmer 2003 R1rho analytic model for 2-site off-resonance exchange. This follows the tutorial for adding relaxation dispersion models at: |
2013-11-17 13:10:19 | Tree |
[r21486]
by
bugman
Added the 'TAP03' model to the GUI model list. This is the Trott, Abergel and Palmer 2003 R1rho analytic model for 2-site off-resonance exchange. This follows the tutorial for adding relaxation dispersion models at: |
2013-11-17 13:09:14 | Tree |
[r21485]
by
bugman
Updated the Relax_disp.test_tp02_data_to_tap03 system test numbers to match the optimised values. These were so close to the MP05 model values that the test was passing anyway. |
2013-11-17 13:05:55 | Tree |
[r21484]
by
bugman
Many fixes for the lib.dispersion.tap03 module to match the original equations. The 'TAP03' model solution is now similar to those of 'TP02' and 'MP05'. |
2013-11-17 13:03:19 | Tree |
[r21483]
by
bugman
The lib.dispersion.tap03 module can now handle negative gamma values. This avoids fatal errors during optimisation. |
2013-11-17 12:50:14 | Tree |
[r21482]
by
bugman
Debugging of the 'TAP03' dispersion model. Removed a unicode character from the lib.dispersion.tap03 module docstring to allow it to be used in This follows the tutorial for adding relaxation dispersion models at: |
2013-11-17 12:45:12 | Tree |
[r21481]
by
bugman
Debugging of the 'TAP03' dispersion model - optimisation is now setup correctly. This is the Trott, Abergel and Palmer 2003 R1rho analytic model for 2-site off-resonance exchange. This follows the tutorial for adding relaxation dispersion models at: |
2013-11-17 12:43:25 | Tree |