compatibility with enforce2d

[gideonsimpson]

have you tested this with enforce2d? I'm finding that my atoms are moving in the z direction with the bd fix, even when I've got enforce2d

[anyuzx]

Hi

I never used enforced2d with this fix together. I just had a look at source code of fix enforced2d. It restricts the movement in 2d by enforcing the velocity in the z-direction to be zero. However the velocity in the fix_bd is not defined, the movements of particles are directly due to the displacement rather than velocity. So you actually need a custom enforced2d to enforce the force and displacement (instead of velocity) in the z-direction to be zero. By looking at the source code of enforced2d, I imagine it should be relative straightforward. I hope this helps.

[gideonsimpson]

I guess another alternative would be to modify your code to create bd2d, which would only apply forces/thermal fluctuations in the x,y coordinates.

[gideonsimpson]

Not sure if it's worth adding to your project, but for the bd fix, I made a bd2d by deleting the z coordinates in the source, and it worked as hoped.

[anyuzx]

@gideonsimpson Thx! If you want, I can add you as a collaborator and you can try to make a commit to the repository.

[gideonsimpson]

sure, add me

[aortiza]

I took your suggestion of the customized enforce2d. I am making a pull request if you want to incorporate it.

[anyuzx]

I took your suggestion of the customized enforce2d. I am making a pull request if you want to incorporate it.

Thank you for the 2D code! I will make the merge