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improve errors in compute msd

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This commit is contained in:
Axel Kohlmeyer
2025-06-17 05:57:24 -04:00
parent eeaca93974
commit 624c7a5ab8
1 changed files with 3 additions and 3 deletions
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6
src/compute_msd.cpp
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@ -29,7 +29,7 @@ using namespace LAMMPS_NS;
ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), id_fix(nullptr)
{
if (narg < 3) error->all(FLERR, "Illegal compute msd command");
if (narg < 3) utils::missing_cmd_args(FLERR, "compute msd", error);
vector_flag = 1;
size_vector = 4;
@ -53,11 +53,11 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, a
avflag = utils::logical(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else
error->all(FLERR, "Unknown compute msd keyword: {}", arg[iarg]);
error->all(FLERR, iarg, "Unknown compute msd keyword: {}", arg[iarg]);
}
if (group->dynamic[igroup])
error->all(FLERR, "Compute {} is not compatible with dynamic groups", style);
error->all(FLERR, 1, "Compute {} is not compatible with dynamic groups", style);
// create a new fix STORE style for reference positions
// id = compute-ID + COMPUTE_STORE, fix group = compute group