diff --git a/source/lmp/compute_deeptensor_atom.cpp b/source/lmp/compute_deeptensor_atom.cpp index 3458ec3c27..88377f5c18 100644 --- a/source/lmp/compute_deeptensor_atom.cpp +++ b/source/lmp/compute_deeptensor_atom.cpp @@ -58,7 +58,7 @@ ComputeDeeptensorAtom::ComputeDeeptensorAtom(LAMMPS *lmp, int narg, char **arg) nmax = 0; - dist_unit_cvt_factor = 1.0 / force->angstrom; + dist_unit_cvt_factor = force->angstrom; } /* ---------------------------------------------------------------------- */ diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp index 9c86dd2622..c49ef51cba 100644 --- a/source/lmp/pair_deepmd.cpp +++ b/source/lmp/pair_deepmd.cpp @@ -351,7 +351,7 @@ PairDeepMD::PairDeepMD(LAMMPS *lmp) "\"units metal\" or \"units real\""); } ener_unit_cvt_factor = force->boltz / 8.617343e-5; - dist_unit_cvt_factor = 1.0 / force->angstrom; + dist_unit_cvt_factor = force->angstrom; force_unit_cvt_factor = ener_unit_cvt_factor / dist_unit_cvt_factor; restartinfo = 1;