diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp index 43a4e9b13c..3a6c1c8bbf 100644 --- a/source/lmp/pair_deepmd.cpp +++ b/source/lmp/pair_deepmd.cpp @@ -450,6 +450,8 @@ void PairDeepMD::compute(int eflag, int vflag) { if (numb_models == 0) { return; } + // See + // https://docs.lammps.org/Developer_updating.html#use-ev-init-to-initialize-variables-derived-from-eflag-and-vflag ev_init(eflag, vflag); if (vflag_atom) { error->all(FLERR,