Re: Confinement or hard/harmonic walls in espresso

[Wasim Abdul]

Thank you a lot! Most likely this will solve my requirement.

On Mon, Jul 11, 2022 at 3:29 PM Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> wrote:

Hi,

You are probably looking for the Wall shape:
https://espressomd.github.io/doc4.2.0/constraints.html#wall

The particle_type argument is used to set up the potential between the
wall and the particles. If the particle type is 0 and shape type is 1, a
Lennard-Jones potential can be set up as follows:

```python
system.non_bonded_inter[0, 1].lennard_jones.set_params(
     epsilon=1.0, sigma=5.0, cutoff=15.0, shift="auto")
```

A minimal working example with visualization is available in this
sample:

```sh
./pypresso ../samples/visualization_constraints.py --wall
```

Best,
JN

On 2022-07-11 11:03, Wasim Abdul wrote:
> Hi, I need to implement a hard/elastic wall. Though I am new to
> espresso, I did not find anything regarding hard walls in the
> documentation. Please help.
>
> Thanks,
> Wasim