periodic boundary

[Mobinati]

hello there, I have been trying to find a way to have a periodic boundary where cells would be limited to a box and I finally got to this notebook : PeriodicBoundaryConditions.ipynb

where it uses some modules as this:

from cgal4py.delaunay import Delaunay2, PeriodicDelaunay2

But there is an issue for matching the libraries of CGAL and cgal4py that I can't make it work.

I know that some functions, like Division, boundary cells can be read. but the idea of right side cells being part of left side cells in a way of being counted in energy minimization, I still am not sure how to do it.

appericiate if you could give a hint.

[glyg]

Hi @Mobinati sorry for the late reply
Sorry but I did not author the periodic boundaries bit, and unfortunately my regular job does not allow me much time on tyssue these days.

I don't even remember porting cgal4py code to python 3

Sorry I can't be of more help :/

[Mobinati]

No problem. Thanks alot for your response.

…

On Thu, Aug 29, 2024, 4:31 PM Guillaume Gay ***@***.***> wrote: Hi @Mobinati <https://github.com/Mobinati> sorry for the late reply Sorry but I did not author the periodic boundaries bit, and unfortunately my regular job does not allow me much time on tyssue these days. I don't even remember porting cgal4py code to python 3 Sorry I can't be of more help :/ — Reply to this email directly, view it on GitHub <#12 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/BIWVKK5VFT5WO75QZTZOBALZT4WFRAVCNFSM6AAAAABK4OOCXCVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDGMJXHA4DMMZYHE> . You are receiving this because you were mentioned.Message ID: ***@***.***>

[Mobinati]

Dear Guillaume, Would you please let me know whom should I ask about periodic boundary condition being applied? Cause I spent great amount of time for my model and now I am kinda stuck just because of pbc implementation. Bests

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On Fri, Aug 30, 2024, 9:57 AM soha toosian ***@***.***> wrote: No problem. Thanks alot for your response. On Thu, Aug 29, 2024, 4:31 PM Guillaume Gay ***@***.***> wrote: > Hi @Mobinati <https://github.com/Mobinati> sorry for the late reply > Sorry but I did not author the periodic boundaries bit, and unfortunately > my regular job does not allow me much time on tyssue these days. > > I don't even remember porting cgal4py code to python 3 > > Sorry I can't be of more help :/ > > — > Reply to this email directly, view it on GitHub > <#12 (comment)>, > or unsubscribe > <https://github.com/notifications/unsubscribe-auth/BIWVKK5VFT5WO75QZTZOBALZT4WFRAVCNFSM6AAAAABK4OOCXCVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDGMJXHA4DMMZYHE> > . > You are receiving this because you were mentioned.Message ID: > ***@***.***> >