relax / SVN archive Commit Log

Commit	Date
[r20972] by bugman Creating a branch for fixing the value.write user function. This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/4594/focus=4609.	2013-09-11 07:25:25	Tree
[r20971] by bugman Added a sample script for an off-resonance R1rho dispersion analysis.	2013-09-10 14:55:30	Tree
[r20970] by bugman Fix for the dispersion model list in the GUI - the R1rho models were mixed up.	2013-09-10 14:10:51	Tree
[r20969] by bugman Fix for the CPMG dispersion sample script - the numeric solution model name was not correct.	2013-09-10 14:07:22	Tree
[r20968] by bugman Added the relaxation dispersion documentation to all of the value user function documentation.	2013-09-10 12:53:36	Tree
[r20967] by bugman Some more speed ups for the R1rho dispersion models. For many models, the square of the spin-lock field strength is a part of the equations. Therefore this is now pre-calculated when the target function is initialised.	2013-09-10 12:43:07	Tree
[r20966] by bugman Added the conversion to k_AB from kex and pA. k_AB = kex * (1.0 - pA). Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001) Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com Signed-off-by: Edward d'Auvergne <edward@...>	2013-09-10 12:39:51	Tree
[r20965] by bugman Optimized the target function for model TSMFK. Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001) Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com Signed-off-by: Edward d'Auvergne <edward@...>	2013-09-10 12:39:49	Tree
[r20964] by bugman Added to calculate the tau_cpmg times when model is TSMFK01. Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001) Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com Signed-off-by: Edward d'Auvergne <edward@...>	2013-09-10 12:39:47	Tree
[r20963] by bugman Added the write-out of 'dw' and 'k_AB' for model TSMFK01, when performing auto-analysis. Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001) Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com Signed-off-by: Edward d'Auvergne <edward@...>	2013-09-10 12:39:44	Tree

[r20972] by bugman

Creating a branch for fixing the value.write user function.

This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/4594/focus=4609.

2013-09-11 07:25:25

Tree

[r20971] by bugman

Added a sample script for an off-resonance R1rho dispersion analysis.

2013-09-10 14:55:30

Tree

[r20970] by bugman

Fix for the dispersion model list in the GUI - the R1rho models were mixed up.

2013-09-10 14:10:51

Tree

[r20969] by bugman

Fix for the CPMG dispersion sample script - the numeric solution model name was not correct.

2013-09-10 14:07:22

Tree

[r20968] by bugman

Added the relaxation dispersion documentation to all of the value user function documentation.

2013-09-10 12:53:36

Tree

[r20967] by bugman

Some more speed ups for the R1rho dispersion models.

For many models, the square of the spin-lock field strength is a part of the equations. Therefore
this is now pre-calculated when the target function is initialised.

2013-09-10 12:43:07

Tree

[r20966] by bugman

Added the conversion to k_AB from kex and pA. k_AB = kex * (1.0 - pA).

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

2013-09-10 12:39:51

Tree

[r20965] by bugman

Optimized the target function for model TSMFK.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

2013-09-10 12:39:49

Tree

[r20964] by bugman

Added to calculate the tau_cpmg times when model is TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

2013-09-10 12:39:47

Tree

[r20963] by bugman

Added the write-out of 'dw' and 'k_AB' for model TSMFK01, when performing auto-analysis.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

2013-09-10 12:39:44

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

SVN archive Commit Log