r24631 - /branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py -- July 22, 2014 - 16:51

Author: tlinnet
Date: Tue Jul 22 16:51:48 2014
New Revision: 24631

URL: http://svn.gna.org/viewcvs/relax?rev=24631&view=rev
Log:
Code validation of lib/dispersion/ns_mmq_3site.py.

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_mmq_3site.py

Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py?rev=24631&r1=24630&r2=24631&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py     (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py     Tue Jul 22 
16:51:48 2014
@@ -206,7 +206,7 @@
             + m_dw_AB_C_tcp + m_dw_AC_C_tcp
             + m_k_AB_tcp + m_k_BA_tcp + m_k_BC_tcp
             + m_k_CB_tcp + m_k_AC_tcp + m_k_CA_tcp)
-    
+
     return matrix
 
 
@@ -303,14 +303,14 @@
     M2_star_mat = conj(M2_mat)
 
     # Repetitive dot products (minimised for speed).
-    M1_M2_mat = einsum('...ij,...jk', M1_mat, M2_mat)
-    M2_M1_mat = einsum('...ij,...jk', M2_mat, M1_mat)
-    M1_M2_M2_M1_mat = einsum('...ij,...jk', M1_M2_mat, M2_M1_mat)
-    M2_M1_M1_M2_mat = einsum('...ij,...jk', M2_M1_mat, M1_M2_mat)
-    M1_M2_star_mat = einsum('...ij,...jk', M1_star_mat, M2_star_mat)
-    M2_M1_star_mat = einsum('...ij,...jk', M2_star_mat, M1_star_mat)
-    M1_M2_M2_M1_star_mat = einsum('...ij,...jk', M1_M2_star_mat, 
M2_M1_star_mat)
-    M2_M1_M1_M2_star_mat = einsum('...ij,...jk', M2_M1_star_mat, 
M1_M2_star_mat)
+    M1_M2_mat = einsum('...ij, ...jk', M1_mat, M2_mat)
+    M2_M1_mat = einsum('...ij, ...jk', M2_mat, M1_mat)
+    M1_M2_M2_M1_mat = einsum('...ij, ...jk', M1_M2_mat, M2_M1_mat)
+    M2_M1_M1_M2_mat = einsum('...ij, ...jk', M2_M1_mat, M1_M2_mat)
+    M1_M2_star_mat = einsum('...ij, ...jk', M1_star_mat, M2_star_mat)
+    M2_M1_star_mat = einsum('...ij, ...jk', M2_star_mat, M1_star_mat)
+    M1_M2_M2_M1_star_mat = einsum('...ij, ...jk', M1_M2_star_mat, 
M2_M1_star_mat)
+    M2_M1_M1_M2_star_mat = einsum('...ij, ...jk', M2_M1_star_mat, 
M1_M2_star_mat)
 
     # Loop over spins.
     for si in range(NS):
@@ -478,9 +478,9 @@
     A_neg_mat = matrix_exponential_rank_NS_NM_NO_ND_x_x(m2_mat)
 
     # The evolution for one n.
-    evol_block_mat = einsum('...ij,...jk', A_neg_mat, A_pos_mat)
-    evol_block_mat = einsum('...ij,...jk', A_neg_mat, evol_block_mat)
-    evol_block_mat = einsum('...ij,...jk', A_pos_mat, evol_block_mat)
+    evol_block_mat = einsum('...ij, ...jk', A_neg_mat, A_pos_mat)
+    evol_block_mat = einsum('...ij, ...jk', A_neg_mat, evol_block_mat)
+    evol_block_mat = einsum('...ij, ...jk', A_pos_mat, evol_block_mat)
 
     # Loop over spins.
     for si in range(NS):