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periodic boundary #12
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Hi @Mobinati sorry for the late reply I don't even remember porting cgal4py code to python 3 Sorry I can't be of more help :/ |
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 :/
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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
…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)>,
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I am going to have to find some old code to figure this out. Did you want constant size boundaries or expanding? Looking at some code quickly, let me know if any of it helps:
Seems that the periodic boundary that I used was loaded from a pre-configured file named 'planar_periodic8x8.hf5' after that I used periodic=True in the find_energy_min function. Also did you check this test resource? |
Thanks alot for reaching out. I need constant boundaries, it's like a box
consisting of two dimentional honeycomb cells.
Thanks alot for your help.
…On Tue, Oct 8, 2024, 7:51 PM George C ***@***.***> wrote:
Hello @Mobinati <https://github.com/Mobinati> and @glyg
<https://github.com/glyg> ,
I am going to have to find open some old code to figure this out. Did you
want a constant size boundaries or expanding?
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Hey @glyg ! I worked on having expanding boundaries during cell division (basically made the boundary box size a model variable for energy minimization). @Mobinati for periodic boundaries, the code above should give you the information you need ! (set periodic=False if you do not want the boundaries to expand). Let me know if you need more help. |
Thanks a lot for reaching out @gcourcou ! |
thanks a lot @gcourcou and @glyg for your responses and follow up. I still haven't been able to run your code there are several errors of
popping up; I am trying to solve it first. but I would send here the feedback if it works. |
hello there @gcourcou and @glyg. thanks for the codes. I could successfully run the code but this is the tissue I get:
Bests |
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:
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.
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