Hi, I though I would have broken something. I'm a bit low in computational power at the moment due to having so many calculations running, so I hadn't picked this up yet.
Cheers, Edward On 6 October 2014 18:05, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > Can you check if you broke: > > F 1.93 s for Relax_disp.test_korzhnev_2005_15n_dq_data > F 2.01 s for Relax_disp.test_korzhnev_2005_1h_mq_data > F 1.93 s for Relax_disp.test_korzhnev_2005_1h_sq_data > > Best > Troels > > ---------- Forwarded message ---------- > From: <[email protected]> > Date: 2014-10-06 14:38 GMT+02:00 > Subject: r26164 - in /trunk/lib/dispersion: ns_matrices.py ns_mmq_2site.py > To: [email protected] > > > 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 The numpy.complex64 32-bit types have been replaced by 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) > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
