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srtee / lammps-USER-CONP2

updated constant potential plugin for LAMMPS
GNU General Public License v3.0
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How can l calculate the potential of the system in the z-direction？ #35

Closed ms123456-TX closed 2 years ago

ms123456-TX commented 2 years ago

Dear professor， I want to output the potential of the system in the z-direction.Is there an commmd to do this, please?

srtee commented 2 years ago

Hi there,

Please see either https://iopscience.iop.org/article/10.1088/0953-8984/28/46/464006 , https://arxiv.org/abs/2201.12963 or https://altafang.com/2020/10/13/calculating-1d-electrostatic-potential-profile-from-md-simulations/ for some useful pointers.

Cheers, Shern

ms123456-TX commented 2 years ago

Hi there,

Please see either https://iopscience.iop.org/article/10.1088/0953-8984/28/46/464006 , https://arxiv.org/abs/2201.12963 or https://altafang.com/2020/10/13/calculating-1d-electrostatic-potential-profile-from-md-simulations/ for some useful pointers.

Cheers, Shern

Dear Professor, Thanks for your reply, I will study the methods you have shared. Thanks a lot!