Re: Different cell vectors - Reg

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Sep 17 2018 - 05:09:27 CDT

sorry, i don't follow. your description is vague and now even
contradicting. if you want a more specific answer, you have to improve your
question and provide sufficient details.

On Mon, Sep 17, 2018 at 5:57 AM Mani Kandan <manikandand5110_at_gmail.com>
wrote:

> Actually, My system consists of two water_boxes of different sizes,
> connected in series. is possible to maintain same water_box size .
>

again, this doesn't seem to even make sense geometrically. if you have
periodic boundaries and a bulk system, you have to have commensurate box
sizes when assembling a system from multiple parts; if you don't have
periodic boundaries or a system surrounded by vacuum, it doesn't matter,
since you can easily add a little vacuum without any problem.

axel.

>
> On Mon, Sep 17, 2018 at 3:19 PM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>
>>
>>
>> On Mon, Sep 17, 2018 at 5:47 AM Mani Kandan <manikandand5110_at_gmail.com>
>> wrote:
>>
>>> Dear all,
>>>
>>> I want to use different cell vectors for various sections
>>> of my system. Example, If my system has 3 sections of different cross
>>> sectional area, that are connected in series. I want to apply different PBC
>>> for this 3 sections separately. Is possible to do?
>>>
>>
>> no. this makes no sense geometrically, anyway.
>>
>> axel.
>>
>>
>>>
>>> With Regards,
>>> MANIKANDAN D
>>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>>
>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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