r24028 - /trunk/lib/dispersion/lm63_3site.py -- June 17, 2014 - 14:03

Author: bugman
Date: Tue Jun 17 14:03:14 2014
New Revision: 24028

URL: http://svn.gna.org/viewcvs/relax?rev=24028&view=rev
Log:
Fix for bug #22210 (https://gna.org/bugs/?22210), the failure of the 'LM63 
3-site' dispersion model.

The problem is described in the bug report - the multiplication in the tanh() 
function is a mistake,
it must be a division.


Modified:
    trunk/lib/dispersion/lm63_3site.py

Modified: trunk/lib/dispersion/lm63_3site.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/lm63_3site.py?rev=24028&r1=24027&r2=24028&view=diff
==============================================================================
--- trunk/lib/dispersion/lm63_3site.py  (original)
+++ trunk/lib/dispersion/lm63_3site.py  Tue Jun 17 14:03:14 2014
@@ -104,5 +104,5 @@
         # The full formula.
         else:
             back_calc[i] = r20
-            back_calc[i] += rex_B * (1.0 - cpmg_frqs[i] * tanh(quart_kB * 
cpmg_frqs[i]) / quart_kB)
-            back_calc[i] += rex_C * (1.0 - cpmg_frqs[i] * tanh(quart_kC * 
cpmg_frqs[i]) / quart_kC)
+            back_calc[i] += rex_B * (1.0 - cpmg_frqs[i] * tanh(quart_kB / 
cpmg_frqs[i]) / quart_kB)
+            back_calc[i] += rex_C * (1.0 - cpmg_frqs[i] * tanh(quart_kC / 
cpmg_frqs[i]) / quart_kC)