[Wien] Bug Report (SRC_wplot/modules_rc.F)

[Peter Blaha]

Thank you very much for your report and fix. It will be included in the 
next release.

Best regards
Peter Blaha

On 7/21/20 10:23 AM, Takashi NEMOTO wrote:
> Dear sirs,
> 
> I found a bug that stops wplot calculation when the numbers of grids for Y and Z is diffrent.
> I hope that the following patch will fix this bug.
> 
> Best regards,
> T. Nemoto
> 
> ==============================================
> *** SRC_wplot/modules_rc.F      2016-12-06 19:09:40.000000000 +0900
> --- new/SRC_wplot/modules_rc.F    2020-07-21 16:31:48.903852179 +0900
> ***************
> *** 259,265 ****
>         write(unit_psink, fmt_grid) &
>              xyz(2), inwp%grid%N(2), inwp%grid%len(2), inwp%grid%ang(3)
>         write(unit_psink, fmt_grid) &
> !           xyz(3), inwp%grid%N(2), inwp%grid%len(3), inwp%grid%ang(2:1:-1)
> 
>         write(unit_psink, &
>              "('#order: (((w(x,y,z), z=1,#z), y=1,#y), x=1,#x)')")
> --- 259,265 ----
>         write(unit_psink, fmt_grid) &
>              xyz(2), inwp%grid%N(2), inwp%grid%len(2), inwp%grid%ang(3)
>         write(unit_psink, fmt_grid) &
> !           xyz(3), inwp%grid%N(3), inwp%grid%len(3), inwp%grid%ang(2:1:-1)
> 
>         write(unit_psink, &
>              "('#order: (((w(x,y,z), z=1,#z), y=1,#y), x=1,#x)')")
> 
> 
>   
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
--------------------------------------------------------------------------