r26164 - in /trunk/lib/dispersion: ns_matrices.py ns_mmq_2site.py -- October 06, 2014 - 14:38

Author: bugman
Date: Mon Oct  6 14:38:25 2014
New Revision: 26164

URL: http://svn.gna.org/viewcvs/relax?rev=26164&view=rev
Log:
Fix for bug #22563 (https://gna.org/bugs/?22563).

This is the NS MMQ 2-site dispersion model running at 32-bit precision and 
not 64-bit as it should
be.  The numpy.complex64 32-bit types have been replaced by numpy.complex128 
in the
lib.dispersion.ns_mmq_2site module.


Modified:
    trunk/lib/dispersion/ns_matrices.py
    trunk/lib/dispersion/ns_mmq_2site.py

Modified: trunk/lib/dispersion/ns_matrices.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_matrices.py?rev=26164&r1=26163&r2=26164&view=diff
==============================================================================
--- trunk/lib/dispersion/ns_matrices.py (original)
+++ trunk/lib/dispersion/ns_matrices.py Mon Oct  6 14:38:25 2014
@@ -165,7 +165,7 @@
     """The Bloch-McConnell matrix for 2-site exchange.
 
     @keyword matrix:        The matrix to populate.
-    @type matrix:           numpy rank-2, 2D complex64 array
+    @type matrix:           numpy rank-2, 2D complex128 array
     @keyword R20A:          The transverse, spin-spin relaxation rate for 
state A.
     @type R20A:             float
     @keyword R20B:          The transverse, spin-spin relaxation rate for 
state B.
@@ -189,7 +189,7 @@
     """The Bloch-McConnell matrix for 3-site exchange.
 
     @keyword matrix:        The matrix to populate.
-    @type matrix:           numpy rank-2, 3D complex64 array
+    @type matrix:           numpy rank-2, 3D complex128 array
     @keyword R20A:          The transverse, spin-spin relaxation rate for 
state A.
     @type R20A:             float
     @keyword R20B:          The transverse, spin-spin relaxation rate for 
state B.

Modified: trunk/lib/dispersion/ns_mmq_2site.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_mmq_2site.py?rev=26164&r1=26163&r2=26164&view=diff
==============================================================================
--- trunk/lib/dispersion/ns_mmq_2site.py        (original)
+++ trunk/lib/dispersion/ns_mmq_2site.py        Mon Oct  6 14:38:25 2014
@@ -51,7 +51,7 @@
 
 # Python module imports.
 from math import floor
-from numpy import array, conj, complex64, dot, einsum, float64, log, multiply
+from numpy import array, conj, complex128, dot, einsum, float64, log, 
multiply
 from numpy.linalg import matrix_power
 
 # relax module imports.
@@ -192,9 +192,9 @@
 
     # The M1 and M2 matrices.
     # Equivalent to D+.
-    M1_mat = matrix_exponential(m1_mat, dtype=complex64)
+    M1_mat = matrix_exponential(m1_mat, dtype=complex128)
     # Equivalent to Z-.
-    M2_mat = matrix_exponential(m2_mat, dtype=complex64)
+    M2_mat = matrix_exponential(m2_mat, dtype=complex128)
 
     # The complex conjugates M1* and M2*
     # Equivalent to D+*.
@@ -351,8 +351,8 @@
     m2_mat = rmmq_2site_rankN(R20A=R20A, R20B=R20B, dw=-dw, k_AB=k_AB, 
k_BA=k_BA, tcp=tcp)
 
     # The A+/- matrices.
-    A_pos_mat = matrix_exponential(m1_mat, dtype=complex64)
-    A_neg_mat = matrix_exponential(m2_mat, dtype=complex64)
+    A_pos_mat = matrix_exponential(m1_mat, dtype=complex128)
+    A_neg_mat = matrix_exponential(m2_mat, dtype=complex128)
 
     # The evolution for one n.
     evol_block_mat = einsum('...ij, ...jk', A_neg_mat, A_pos_mat)