Re: Confinement or hard/harmonic walls in espresso

[Jean-Noël Grad]

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