Author: bugman Date: Tue Oct 7 14:32:17 2014 New Revision: 26183 URL: http://svn.gna.org/viewcvs/relax?rev=26183&view=rev Log: Merged revisions 26164 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r26164 | bugman | 2014-10-06 14:38:25 +0200 (Mon, 06 Oct 2014) | 7 lines 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 The numpy.complex64 32-bit types have been replaced by numpy.complex128 in the lib.dispersion.ns_mmq_2site module.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: branches/frame_order_cleanup/ (props changed) branches/frame_order_cleanup/lib/dispersion/ns_matrices.py branches/frame_order_cleanup/lib/dispersion/ns_mmq_2site.py Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Tue Oct 7 14:32:17 2014 @@ -1 +1 @@ -/trunk:1-26139,26142-26163 +/trunk:1-26139,26142-26164 Modified: branches/frame_order_cleanup/lib/dispersion/ns_matrices.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/dispersion/ns_matrices.py?rev=26183&r1=26182&r2=26183&view=diff ============================================================================== --- branches/frame_order_cleanup/lib/dispersion/ns_matrices.py (original) +++ branches/frame_order_cleanup/lib/dispersion/ns_matrices.py Tue Oct 7 14:32:17 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: branches/frame_order_cleanup/lib/dispersion/ns_mmq_2site.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/dispersion/ns_mmq_2site.py?rev=26183&r1=26182&r2=26183&view=diff ============================================================================== --- branches/frame_order_cleanup/lib/dispersion/ns_mmq_2site.py (original) +++ branches/frame_order_cleanup/lib/dispersion/ns_mmq_2site.py Tue Oct 7 14:32:17 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)