[DFTB-Plus-User] cubemanip

[Sharma SRK Chaitanya Yamijala]

Dear Balint,

Yes, it is working now (both the executables are giving the same result).
Thank you.

Sure, hereafter, if I find any bug I will report it to the GitHub page.

May I know, what was the issue? Is it because of calling oldnumeric?

Thanks,
Sharma.





--------------------------------------------------------------------
SRK *Chaitanya* Sharma, Yamijala.
http://www.bmwong-group.com/group-members/


On Mon, Feb 5, 2018 at 2:06 AM, Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Sharma,
>
> On 02/03/18 01:30, Sharma SRK Chaitanya Yamijala wrote:
> > Hi,
> >
> > I would like to just inform that I am getting the following error with
> > the cubemanip presented in the tools/misc/cubemanip of the
> > dftbplus-v17.1. This is not the case with the earlier versions of
> > cubemanip.
>
> Thanks a lot for reporting! I've made a fix for that, see
>
> https://github.com/aradi/dftbplus/blob/fixCubemanip/tools/misc/cubemanip
>
> Would you please check, whether that version works OK for you? If yes,
> we would then merge it into master on github.
>
>   Best regards,
>
>   Bálint
>
>
> Ps. In case, you find further bugs in the future, you could also report
> them using the issue tracker for DFTB+:
>
> https://github.com/dftbplus/dftbplus/issues
>
> The github tracker systems enables us to see communication and also code
> changes belonging to a certain issue in a very clear way. And makes
> sure, we do not forget about that bug :-)
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
>
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