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Re: [ESPResSo-users] simple shear for polymer melts
From: |
Pierre de Buyl |
Subject: |
Re: [ESPResSo-users] simple shear for polymer melts |
Date: |
Thu, 16 May 2019 15:47:23 +0200 |
User-agent: |
Mutt/1.5.23 (2014-03-12) |
Dear Ricky,
With S. Bindgen, we are currently working on the Lees-Edwards feature - with
support from the ESPResSo developers. We hope to complete the work soon. In the
meantime, our work is available here
https://github.com/bindgens1/espresso/tree/le_submission_cd and there is a
sample "lees_edwards_vis.py".
The feature does not work with virtual sites or electrostatics.
Regards,
Pierre
On Thu, May 16, 2019 at 09:27:05PM +0800, address@hidden wrote:
> Dear all,
>
> I'd like to simulate the simple shear for polymer melts with the current
> version of espresso(4.0.2). However, the Lees-Edwards boundary conditions are
> not available according to the document.
> Do you have some ideas to simulate the shear flow?
>
> Thanks for your attention to this matter!
> Regards!
>
> Ricky
>
>
>
> address@hidden