We want to perform a MD simulation in LAMMPS using a sGDML model. We saw that a particular command is available for GAP potential. so, is there any command to interface sGDML model with lammps? We also tried to interface a sGDML model with lammps using python script( example given in lammps/examples/COUPLE/python). But in doing that, we are not able to update the energy values in the lammps variable.
It will be a great help if I get any reply on this.