Author: tlinnet Date: Tue May 6 17:24:13 2014 New Revision: 23009 URL: http://svn.gna.org/viewcvs/relax?rev=23009&view=rev Log: Speed-up. Repetitive calculations of 2.0 * tcp. sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging Modified: trunk/lib/dispersion/b14.py Modified: trunk/lib/dispersion/b14.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23009&r1=23008&r2=23009&view=diff ============================================================================== --- trunk/lib/dispersion/b14.py (original) +++ trunk/lib/dispersion/b14.py Tue May 6 17:24:13 2014 @@ -148,6 +148,7 @@ dw2 = dw**2 zeta2 = zeta**2 Psi2 = Psi**2 + two_tcp = 2.0 * tcp # Get the real and imaginary components of the exchange induced shift. g3 = 1/sqrt(2) * sqrt(Psi + sqrt(zeta2 + Psi2)) @@ -185,10 +186,10 @@ # Derived from relaxation. # E0 = -2.0 * tcp * (f00R - f11R). - E0 = 2.0 * tcp * g3 + E0 = two_tcp * g3 # Derived from chemical shifts #E2 = complex(0,-2.0 * tcp * (f00I - f11I)). - E2 = 2.0 * tcp * g4 + E2 = two_tcp * g4 # Mixed term (complex) (E0 - iE2)/2. E1 = complex(g3, -g4) * tcp