r24196 - /branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py -- June 20, 2014 - 10:54

Author: tlinnet
Date: Fri Jun 20 10:54:06 2014
New Revision: 24196

URL: http://svn.gna.org/viewcvs/relax?rev=24196&view=rev
Log:
Fix for ns_mmq_2site_mq.

Variable was wrong called.
There seems to be a serious problem more with mq.

test_korzhnev_2005_15n_dq_data
    self.assertAlmostEqual(spin.r2[r20_key3], 13.6153887849344, 2)
AssertionError: 13.624172993315323 != 13.6153887849344 within 2 places

test_korzhnev_2005_15n_mq_data
    self.assertAlmostEqual(spin.r2[r20_key1], 6.02016436619016, 1)
AssertionError: 0.00032836499986468263 != 6.02016436619016 within 1 places

test_korzhnev_2005_15n_sq_data
    self.assertAlmostEqual(spin.kex/1000, 433.176323890829849/1000, 3)
AssertionError: 0.42987451018414946 != 0.43317632389082983 within 3 places

test_korzhnev_2005_1h_mq_data
    self.assertAlmostEqual(spin.r2[r20_key2], 0.039223196112941, 2)
AssertionError: 0.033056489136372089 != 0.039223196112941 within 2 places

test_korzhnev_2005_1h_sq_data
    self.assertAlmostEqual(spin.chi2, 50.3431330819767, 1)
AssertionError: 50.400683622209989 != 50.3431330819767 within 1 places

test_korzhnev_2005_all_data
    self.assertAlmostEqual(spin.r2[r20_key1],  6.67288025927458, 4)
AssertionError: 6.7044178906652689 != 6.67288025927458 within 4 places

test_korzhnev_2005_all_data_disp_speed_bug
    self.assertAlmostEqual(spin.chi2/1000, 162.511988511609/1000, 3)
AssertionError: 0.49707952193522587 != 0.162511988511609 within 3 places

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_2site.py

Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py?rev=24196&r1=24195&r2=24196&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py     (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py     Fri Jun 20 
10:54:06 2014
@@ -249,7 +249,7 @@
                     # Equivalent to D+*.
                     M1_star_i = M1_mat_star[si, mi, oi, i]
                     # Equivalent to Z-*.
-                    M2_star_i = M1_mat_star[si, mi, oi, i]
+                    M2_star_i = M2_mat_star[si, mi, oi, i]
 
                     # Repetitive dot products (minimised for speed).
                     M1_M2 = dot(M1_i, M2_i)