How to simulate Boson Path Integral Molecular Dynamics(PIMDB)

[1597446909]

Hello, I would like to perform path integral molecular dynamics simulations that take into account the exchange effects of bosons. As far as I know, the i-pi molecular dynamics engine can achieve this. So, how can I integrate NEP89 with i-pi? Or has this repository already implemented PIMDB?

[brucefan1983]

Hello, GPUMD does not have PIMDB. NEP89 model can also be used in LAMMPS, which could be interfaced with i-pi.