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[lammps-users] Converting Aziz potential for He-He to lj/cut family
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[lammps-users] Converting Aziz potential for He-He to lj/cut family


From: Afshin Arjangmehr <ms.arjangmehr@...24...>
Date: Wed, 12 Jul 2017 12:41:55 -0800

Dear LAMMPS experts and users,

I want to convert the following command to a similar case where I can use lj/cut (family) since I could not find "aziz" potential in LAMMPS;

pair_style         aziz 10.0
pair_coeff    * * aziz  0.000944079 186924.404 3.56155 -0.2358 4.26842 924.657 2500.69 9106.91 2.9683 10.0
(aziz ; http://www.tandfonline.com/doi/abs/10.1080/00268978700101941)

I studied its original paper and tried to make a connection between lj/cut formula and aziz(HFD-B form), but I got nowhere.
Can you give me any recommendation?

--
With Best Regards
Afshin Arjhangemehr