mailRe: r24183 - /branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py


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Posted by Edward d'Auvergne on June 23, 2014 - 10:34:
The commit message does not match the change in any way!

Regards,

Edward

On 20 June 2014 08:29,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Fri Jun 20 08:29:42 2014
New Revision: 24183

URL: http://svn.gna.org/viewcvs/relax?rev=24183&view=rev
Log:
Moved the costly matrix_exponential of cR2 out of for loops.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py

Modified: branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py?rev=24183&r1=24182&r2=24183&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py       
(original)
+++ branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py       Fri 
Jun 20 08:29:42 2014
@@ -142,6 +142,7 @@
     R_mat, cR2_mat, Rr_mat, Rex_mat, RCS_mat = rcpmg_star_rankN(R2A=r20a, 
R2B=r20b, pA=pA, pB=pB, dw=dw, k_AB=k_AB, k_BA=k_BA, tcp=tcp)

     eR_mat = matrix_exponential_rankN(R_mat)
+    ecR2_mat = matrix_exponential_rankN(cR2_mat)

     # Loop over the spins
     for si in range(NS):
@@ -203,7 +204,7 @@
                     print asd

                 eR_tcp = eR_mat[0, si, mi, 0, di]
-                ecR2_tcp = matrix_exponential(cR2_mat_i)
+                ecR2_tcp = ecR2_mat[0, si, mi, 0, di]

                 # This is the propagator for an element of [delay tcp; 180 
deg pulse; 2 times delay tcp; 180 deg pulse; delay tau], i.e. for 2 times 
tau-180-tau.
                 prop_2 = dot(dot(eR_tcp, ecR2_tcp), eR_tcp)


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