How to use the Multiple Time Step integrators

[Anton Charkin-Gorbulin]

Hi,

I'd like to know what changes one need to make in the input.xml to use the Multiple Time Step integrators with two different forces slow and fast. It seemed to me that in i-pi there is this function.

Thanks,

Anton

[venkat kapil]

you can follow the example

examples/lammps/h2o-pimd+mts.4

if you want to sample the NVT ensemble.

[Michele Ceriotti]

Also, perhaps this scheme can help you understand how this works