Commit | Date | |
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[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 |
[r21480]
by
bugman
Added the 'TAP03' R2eff calculating function to the relax library. 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 12:42:30 | Tree |
[r21479]
by
bugman
Created the 'TAP03' model target function. 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 12:17:51 | Tree |
[r21478]
by
bugman
Added support for the 'TAP03' model to the relax_disp.select_model user function back end. 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 12:14:40 | Tree |
[r21477]
by
bugman
Added the 'TAP03' model to the relax_disp.select_model user function frontend. 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 12:12:57 | Tree |
[r21476]
by
bugman
Added the 'TAP03' model to the dispersion variables. 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 12:09:24 | Tree |
[r21475]
by
bugman
Created the Relax_disp.test_tp02_data_to_tap03 system test. This is the Trott et al, 2003 R1rho analytic model for 2-site off-resonance exchange. This follows the tutorial for adding relaxation dispersion models at: This was copied from the Relax_disp.test_tp02_data_to_mp05 system test. |
2013-11-17 12:06:17 | Tree |