relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r22481] by tlinnet Modified unit and systemtest to reflect new calculation of rotating frame tilt angle Theta. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. This was discussed in thread: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.	2014-03-14 22:21:24	Tree
[r22480] by tlinnet Fix for calculating the theta angle describing the tilted rotating frame relative to the laboratory, when omega1 / Delta_omega is negative. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. This follows discussion in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.	2014-03-14 22:21:22	Tree
[r22479] by tlinnet Removed the writing out of R1rho as function of Effective field w_eff relax_disp.write_disp_curves() as this surves no purpose. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.	2014-03-14 22:21:20	Tree
[r22478] by tlinnet Fix for handling the writing of theta.out and w_eff.out in relax_disp auto_analysis, when model is not of R1rho type. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. This was discovered using the systemtests.	2014-03-14 22:21:18	Tree
[r22477] by tlinnet Hardcoded the writing of R2eff as function of the Effective field in rotating frame "w_eff", when using the function relax_disp.write_disp_curves(). Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. Theta values per spin will be written if the spin.model is in the list MODEL_LIST_R1RHO_FULL.	2014-03-13 15:57:10	Tree
[r22476] by tlinnet Modified systemtest of hardcoded values of theta and w_eff to match precision to 14 digits. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.	2014-03-13 12:25:44	Tree
[r22475] by tlinnet Fixed code dublication in specific_analysis.relax_disp.disp_data.write_disp_curves(). Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.	2014-03-13 12:25:41	Tree
[r22474] by tlinnet Hardcoded contents of writing of parameters theta and w_eff in systemtest Relax_disp.test_value_write_calc_rotating_frame_params_auto_analysis(). Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. This is to better support testing of key ordering and different architectures, etc.	2014-03-12 20:51:32	Tree
[r22473] by tlinnet Fix for correct use of assertNotEqual or assertEqual in Relax_disp system tests. Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.	2014-03-12 20:25:22	Tree
[r22472] by tlinnet Fix for return of None tuble in calc_rotating_frame_params(). Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.	2014-03-12 20:25:20	Tree

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