Re: WCA for Particles with Differet Sigma

[jude vishnu]

Dear Adrian,

It is there in the documentation page. I believe you are looking for this?

lj.pair_coeff.set('A', 'B', epsilon=2.0, sigma=1.0, alpha=0.5, r_cut=3.0, r_on=2.0);

https://hoomd-blue.readthedocs.io/en/v2.9.6/module-md-pair.html#hoomd.md.pair.lj

Best,

Jude

On Saturday, February 18, 2023 at 10:38:43 AM UTC+1 ADRIAN PINTO wrote:

Hi,

I am trying to simulate particles of different diameter using hoomd. Currently, I'm forced to stick with v2 because I want to implement mpcd after I get success with dry system.

I wanted to ask if there was a way to define r_cut for lj potential separately based on the type of interacting particles. Whenever I initialize lj using md.pair.lj, it sets in stone the r_cut parameter. I'm defining pair_coeff separately, but I don't know if this would alter the r_cut supplied any way.

Any help in figuring this out would be much appreciated. Here is a snippet of the code.

Thank you for your time.

Yours sincerely,

Adrian

[ADRIAN PINTO]

Hi Jude,

Thanks for the help! I figured things out.

Regards,

Adrian