r21767 - /trunk/lib/dispersion/ns_mmq_3site.py -- December 04, 2013 - 12:16

Author: bugman
Date: Wed Dec  4 12:16:24 2013
New Revision: 21767

URL: http://svn.gna.org/viewcvs/relax?rev=21767&view=rev
Log:
Another fix for the 'NS MMQ 3-site' dispersion models.

The creation of the Z- matrix had a copy and paste error in that the 
heteronuclear chemical shift
sign was negated when it should be positive.  This was only in one of the two 
chemical shift
numbers.


Modified:
    trunk/lib/dispersion/ns_mmq_3site.py

Modified: trunk/lib/dispersion/ns_mmq_3site.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_mmq_3site.py?rev=21767&r1=21766&r2=21767&view=diff
==============================================================================
--- trunk/lib/dispersion/ns_mmq_3site.py (original)
+++ trunk/lib/dispersion/ns_mmq_3site.py Wed Dec  4 12:16:24 2013
@@ -152,7 +152,7 @@
 
     # Populate the m1 and m2 matrices (only once per function call for 
speed).
     populate_matrix(matrix=m1, R20A=R20A, R20B=R20B, R20C=R20C, 
dw_AB=-dw_AB-dwH_AB, dw_AC=-dw_AC-dwH_AC, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, 
k_CB=k_CB, k_AC=k_AC, k_CA=k_CA)     # D+ matrix component.
-    populate_matrix(matrix=m2, R20A=R20A, R20B=R20B, R20C=R20C, 
dw_AB=-dw_AB-dwH_AB, dw_AC=dw_AC-dwH_AC, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, 
k_CB=k_CB, k_AC=k_AC, k_CA=k_CA)    # Z- matrix component.
+    populate_matrix(matrix=m2, R20A=R20A, R20B=R20B, R20C=R20C, 
dw_AB=dw_AB-dwH_AB, dw_AC=dw_AC-dwH_AC, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, 
k_CB=k_CB, k_AC=k_AC, k_CA=k_CA)    # Z- matrix component.
 
     # Loop over the time points, back calculating the R2eff values.
     for i in range(num_points):