r20375 - in /branches/relax_disp: lib/dispersion/cr72.py target_functions/relax_disp.py -- July 17, 2013 - 19:33

Author: bugman
Date: Wed Jul 17 19:33:26 2013
New Revision: 20375

URL: http://svn.gna.org/viewcvs/relax?rev=20375&view=rev
Log:
Fixes for all of the definitions of the k_AB and k_BA exchange parameters.

These were inverted in all parts of relax.  The changes only affect the 
numerical dispersion models.


Modified:
    branches/relax_disp/lib/dispersion/cr72.py
    branches/relax_disp/target_functions/relax_disp.py

Modified: branches/relax_disp/lib/dispersion/cr72.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/cr72.py?rev=20375&r1=20374&r2=20375&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/cr72.py (original)
+++ branches/relax_disp/lib/dispersion/cr72.py Wed Jul 17 19:33:26 2013
@@ -90,17 +90,17 @@
     # Repetitive calculations (to speed up calculations).
     dw2 = dw**2
     r20_kex = (r20a + r20b + kex) / 2.0
-    k_AB = pA * kex
-    k_BA = pB * kex
+    k_BA = pA * kex
+    k_AB = pB * kex
 
     # The Psi and zeta values.
     if r20a != r20b:
-        fact = r20a - r20b - k_AB + k_BA
+        fact = r20a - r20b - k_BA + k_AB
         Psi = fact**2 - dw2 + 4.0*pA*pB*kex**2
         zeta = 2.0*dw * fact
     else:
         Psi = kex**2 - dw2
-        zeta = -2.0*dw * (k_AB - k_BA)
+        zeta = -2.0*dw * (k_BA - k_AB)
 
     # More repetitive calculations.
     sqrt_psi2_zeta2 = sqrt(Psi**2 + zeta**2)

Modified: branches/relax_disp/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/target_functions/relax_disp.py?rev=20375&r1=20374&r2=20375&view=diff
==============================================================================
--- branches/relax_disp/target_functions/relax_disp.py (original)
+++ branches/relax_disp/target_functions/relax_disp.py Wed Jul 17 19:33:26 
2013
@@ -272,8 +272,8 @@
 
         # Once off parameter conversions.
         pB = 1.0 - pA
-        k_AB = pA * kex
-        k_BA = pB * kex
+        k_BA = pA * kex
+        k_AB = pB * kex
 
         # This is a vector that contains the initial magnetizations 
corresponding to the A and B state transverse magnetizations.
         self.M0[1] = pA
@@ -326,8 +326,8 @@
 
         # Once off parameter conversions.
         pB = 1.0 - pA
-        k_AB = pA * kex
-        k_BA = pB * kex
+        k_BA = pA * kex
+        k_AB = pB * kex
 
         # Set up the matrix that contains the exchange terms between the two 
states A and B.
         self.Rex[0, 0] = -k_AB
@@ -763,8 +763,8 @@
 
         # Once off parameter conversions.
         pB = 1.0 - pA
-        k_AB = pA * kex
-        k_BA = pB * kex
+        k_BA = pA * kex
+        k_AB = pB * kex
 
         # Chi-squared initialisation.
         chi2_sum = 0.0