[ase-users] Using shear in MD simulation

[-]

Try this for a while
https://listserv.fysik.dtu.dk/pipermail/ase-users/2017-March/003585.html

I will make merge request later

On Wed, Apr 5, 2017, 12:10 Nam Tran via ase-users <
ase-users at listserv.fysik.dtu.dk> wrote:

Dear ASE Users,

I am using LAMMPS to simulate a complex structure that requires both shear
and pressure.
To be more specify, My structure contains two layers of Fe separated by a
layer of lubricant molecules.
I want my two layers of Fe slip to opposite directions.
In LAMMPS i can use fix command to move linear two layers (shear) and set
force to them (pressure).
So my question: Is it possible to simulate shear using ASE + LAMMPSRun?

Best Regards
Nam Tran

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