Re: r24199 - /branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py -- June 23, 2014 - 11:51

Hi Troels,

Please try to keep code changes separate.  You have two changes in
this commit.  One is documented by the commit message, but the other
change is hidden and only visible when looking at the lines changed.
That is a bit too messy.

Cheers,

Edward



On 20 June 2014 12:00,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Fri Jun 20 12:00:12 2014
> New Revision: 24199
>
> URL: http://svn.gna.org/viewcvs/relax?rev=24199&view=rev
> Log:
> Forces complex64 in ns_mmq_2site_sq_dq_zq instead complex128.
>
> This fixes systemtests:
> - test_korzhnev_2005_15n_zq_data
> - test_korzhnev_2005_1h_sq_data
>
> 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=24199&r1=24198&r2=24199&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 
> 12:00:12 2014
> @@ -386,8 +386,8 @@
>      NS, NM, NO = num_points.shape
>
>      # Populate the m1 and m2 matrices (only once per function call for 
> speed).
> -    m1_mat = populate_matrix_rankN(R20A=R20A, R20B=R20B, dw=dw, k_AB=k_AB, 
> k_BA=k_BA, tcp=tcp)
> -    m2_mat = populate_matrix_rankN(R20A=R20A, R20B=R20B, dw=-dw, 
> k_AB=k_AB, k_BA=k_BA, tcp=tcp)
> +    m1_mat = populate_matrix_rankN(R20A=R20A, R20B=R20B, dw=dw, k_AB=k_AB, 
> k_BA=k_BA, tcp=tcp).astype(complex64)
> +    m2_mat = populate_matrix_rankN(R20A=R20A, R20B=R20B, dw=-dw, 
> k_AB=k_AB, k_BA=k_BA, tcp=tcp).astype(complex64)
>
>      # The A+/- matrices.
>      A_pos_mat = matrix_exponential_rankN(m1_mat).astype(complex64)
> @@ -408,11 +408,6 @@
>                      A_pos_i = A_pos_mat[si, mi, oi, i]
>                      A_neg_i = A_neg_mat[si, mi, oi, i]
>
> -                    #m1_mat_i = m1_mat[si, mi, oi, i]
> -                    #m2_mat_i = m2_mat[si, mi, oi, i]
> -                    #A_pos_i = matrix_exponential(m1_mat_i)
> -                    #A_neg_i = matrix_exponential(m2_mat_i)
> -
>                      # The evolution for one n.
>                      evol_block = dot(A_pos_i, dot(A_neg_i, dot(A_neg_i, 
> A_pos_i)))
>
>
>
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