I’m attempting to update the MSST shock compression simulation algorithm (fix_msst.cpp), and I’m running into an issue with the potential energy compute. The update requires that the potential energy be tallied every MD time step, even if thermo >1 in the input file. As a result, in fix_msst.cpp I set at every timestep: update->eflag_global = update->ntimestep;. However, the various elements of the potential energy (force->pair->eng_vdwl, force->bond->energy, etc.) are only updated every thermo timesteps, regardless. What’s the best work around for this issue? What’s the flag to force force->pair->eng_vdwl to update every timestep?