Dynamics in one or two dimensions?

[Barak Hirshberg]

Hi,

Is it possible to have i-PI do the dynamics in 1D or 2D?
Couldn't find anything about it in the manual.

Thanks,
Barak

[venkat kapil]

Hi Barak, I think the minimum number of degrees of freedom that you can have is 3. 

[Michele Ceriotti]

You can fake 1D by running a single particle with a potential that depends only on x. But it depends a bit on what technique you want to study whether that will work.

[Barak Hirshberg]

Hi Michele and Venkat,

Thank you both for your answers!

Michele, I thought about faking a 1-D simulation by choosing initial conditions so there is no momenta in y and z and using, for example the 1D harmonic potential driver for x. For an NVE simulation that should work.

However, that will not work with a thermostat, right? Is that what you meant?

Thanks,

Barak

[Michele Ceriotti]

It will work also with a thermostat, you just need to ignore the y and z directions.

Only problem would be if you use some strange technique that couples x,y,z.