diff --git a/src/fix_press_langevin.cpp b/src/fix_press_langevin.cpp index 02cd86465f..dc436ab3e2 100644 --- a/src/fix_press_langevin.cpp +++ b/src/fix_press_langevin.cpp @@ -218,13 +218,14 @@ FixPressLangevin::FixPressLangevin(LAMMPS *lmp, int narg, char **arg) : else if (strcmp(arg[iarg + 1], "none") == 0) pcouple = NONE; else - error->all(FLERR, "Unknown fix press/langevin couple option: {}", arg[iarg + 1]); + error->all(FLERR, iarg + 1, "Unknown fix press/langevin couple option: {}", arg[iarg + 1]); iarg += 2; } else if (strcmp(arg[iarg], "friction") == 0) { if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix press/langevin friction", error); p_ltime = utils::numeric(FLERR, arg[iarg + 1], false, lmp); - if (p_ltime <= 0.0) error->all(FLERR, "Fix press/langevin friction value must be > 0"); + if (p_ltime <= 0.0) + error->all(FLERR, iarg + 1, "Fix press/langevin friction value must be > 0"); iarg += 2; } else if (strcmp(arg[iarg], "dilate") == 0) { if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix press/langevin dilate", error); @@ -233,19 +234,19 @@ FixPressLangevin::FixPressLangevin(LAMMPS *lmp, int narg, char **arg) : else if (strcmp(arg[iarg + 1], "partial") == 0) allremap = 0; else - error->all(FLERR, "Unknown fix press/langevin dilate option: {}", arg[iarg + 1]); + error->all(FLERR, iarg + 1, "Unknown fix press/langevin dilate option: {}", arg[iarg + 1]); iarg += 2; } else if (strcmp(arg[iarg], "temp") == 0) { if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix press/langevin temp", error); t_start = utils::numeric(FLERR, arg[iarg + 1], false, lmp); t_stop = utils::numeric(FLERR, arg[iarg + 2], false, lmp); seed = utils::inumeric(FLERR, arg[iarg + 3], false, lmp); - if (seed <= 0) error->all(FLERR, "Fix press/langevin temp seed must be > 0"); + if (seed <= 0) error->all(FLERR, iarg + 3, "Fix press/langevin temp seed must be > 0"); iarg += 4; } else - error->all(FLERR, "Unknown fix press/langevin keyword: {}", arg[iarg]); + error->all(FLERR, iarg, "Unknown fix press/langevin keyword: {}", arg[iarg]); } if (allremap == 0) restart_pbc = 1; @@ -255,9 +256,9 @@ FixPressLangevin::FixPressLangevin(LAMMPS *lmp, int narg, char **arg) : // error checks if (dimension == 2 && p_flag[2]) - error->all(FLERR, "Invalid fix press/langevin for a 2d simulation"); + error->all(FLERR, "Invalid fix press/langevin command for a 2d simulation"); if (dimension == 2 && (pcouple == YZ || pcouple == XZ)) - error->all(FLERR, "Invalid fix press/langevin for a 2d simulation"); + error->all(FLERR, "Invalid fix press/langevin command for a 2d simulation"); if (pcouple == XYZ && (p_flag[0] == 0 || p_flag[1] == 0)) error->all(FLERR, "Invalid fix press/langevin pressure settings"); @@ -412,7 +413,7 @@ void FixPressLangevin::init() if (!dimflag) continue; if ((p_flag[0] && dimflag[0]) || (p_flag[1] && dimflag[1]) || (p_flag[2] && dimflag[2]) || (p_flag[3] && dimflag[3]) || (p_flag[4] && dimflag[4]) || (p_flag[5] && dimflag[5])) - error->all(FLERR, + error->all(FLERR, Error::NOLASTLINE, "Cannot use fix press/langevin and fix deform on same component of stress tensor"); } @@ -420,10 +421,12 @@ void FixPressLangevin::init() pressure = modify->get_compute_by_id(id_press); if (!pressure) { - error->all(FLERR, "Pressure compute ID {} for fix {} does not exist", id_press, style); + error->all(FLERR, Error::NOLASTLINE, "Pressure compute ID {} for fix {} does not exist", + id_press, style); } else { if (pressure->pressflag == 0) - error->all(FLERR,"Compute ID {} for fix {} does not compute pressure", id_press, style); + error->all(FLERR, Error::NOLASTLINE, "Compute ID {} for fix {} does not compute pressure", + id_press, style); } // Kspace setting @@ -436,7 +439,7 @@ void FixPressLangevin::init() // detect if any rigid fixes exist so rigid bodies move when box is remapped rfix.clear(); - for (auto &ifix : modify->get_fix_list()) + for (const auto &ifix : modify->get_fix_list()) if (ifix->rigid_flag) rfix.push_back(ifix); // Nullifies piston derivatives and forces so that it is not integrated at @@ -688,9 +691,9 @@ void FixPressLangevin::remap() if (domain->yz < -TILTMAX * domain->yprd || domain->yz > TILTMAX * domain->yprd || domain->xz < -TILTMAX * domain->xprd || domain->xz > TILTMAX * domain->xprd || domain->xy < -TILTMAX * domain->xprd || domain->xy > TILTMAX * domain->xprd) - error->all(FLERR, - "Fix {} has tilted box too far in one step - " - "periodic cell is too far from equilibrium state", + error->all(FLERR, Error::NOLASTLINE, + "Fix {} has tilted box too far in one step - periodic cell is too far from " + "equilibrium state", style); domain->set_global_box(); @@ -801,9 +804,12 @@ int FixPressLangevin::modify_param(int narg, char **arg) id_press = utils::strdup(arg[1]); pressure = modify->get_compute_by_id(arg[1]); - if (!pressure) error->all(FLERR, "Could not find fix_modify pressure compute ID: {}", arg[1]); + if (!pressure) + error->all(FLERR, Error::NOLASTLINE, "Could not find fix_modify pressure compute ID: {}", + arg[1]); if (pressure->pressflag == 0) - error->all(FLERR, "Fix_modify pressure compute {} does not compute pressure", arg[1]); + error->all(FLERR, Error::NOLASTLINE, + "Fix_modify pressure compute {} does not compute pressure", arg[1]); return 2; } return 0;