diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp index 5923f20d33..f9616dd1e3 100644 --- a/source/lmp/pair_deepmd.cpp +++ b/source/lmp/pair_deepmd.cpp @@ -1192,7 +1192,7 @@ void PairDeepMD::coeff(int narg, char **arg) { for (int i = ilo; i <= ihi; i++) { for (int j = MAX(jlo, i); j <= jhi; j++) { setflag[i][j] = 1; - scale[i][j] = 1.0 * ener_unit_cvt_factor; + scale[i][j] = 1.0; if (i > numb_types || j > numb_types) { char warning_msg[1024]; sprintf(warning_msg,