diff --git a/src/LATTE/fix_latte.cpp b/src/LATTE/fix_latte.cpp index 4daaf9d40a..8da1db5261 100644 --- a/src/LATTE/fix_latte.cpp +++ b/src/LATTE/fix_latte.cpp @@ -72,7 +72,7 @@ FixLatte::FixLatte(LAMMPS *lmp, int narg, char **arg) : thermo_energy = thermo_virial = 1; // process optional args - + coulomb = 0; id_pe = nullptr; exclude = 0; @@ -147,7 +147,7 @@ void FixLatte::init() if (atom->q_flag == 0 || force->pair == nullptr || force->kspace == nullptr) error->all(FLERR,"Fix latte cannot compute Coulomb potential"); c_pe = modify->get_compute_by_id(id_pe); - if (!c_pe) + if (!c_pe) error->all(FLERR,"Fix latte could not find Coulomb compute ID {}",id_pe); } @@ -171,12 +171,12 @@ void FixLatte::init() if (exclude) { Fix *f_exclude = modify->get_fix_by_id(id_exclude); - if (!f_exclude) + if (!f_exclude) error->all(FLERR,"Fix latte could not find exclude fix ID {}", id_exclude); int exclude_group_index,dim; exclusion_group_ptr = (int *) f_exclude->extract("exclusion_group",dim); - if (!exclusion_group_ptr || dim != 0) - error->all(FLERR,"Fix latte could not query exclude_group of fix ID {}", + if (!exclusion_group_ptr || dim != 0) + error->all(FLERR,"Fix latte could not query exclude_group of fix ID {}", id_exclude); } } @@ -308,7 +308,7 @@ void FixLatte::post_force(int vflag) newsystem = 0; natoms_last = atom->natoms; - + // sum LATTE forces to LAMMPS forces // e.g. LAMMPS may compute Coulombics at some point @@ -362,7 +362,7 @@ void FixLatte::latte_wrapper_exclude() int *mask = atom->mask; int nlocal = atom->nlocal; - + // nlatte = number of non-excluded atoms to pass to LATTE int nlatte = 0;