diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index 7ecb89b4c0..90d8f47b7a 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -27,8 +27,7 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) - : Compute(lmp, narg, arg), id_fix(nullptr) +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"); @@ -46,15 +45,15 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) int iarg = 3; while (iarg < narg) { if (strcmp(arg[iarg], "com") == 0) { - if (iarg + 2 > narg) error->all(FLERR, "Illegal compute msd command"); + if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute msd com", error); comflag = utils::logical(FLERR, arg[iarg + 1], false, lmp); iarg += 2; } else if (strcmp(arg[iarg], "average") == 0) { - if (iarg + 2 > narg) error->all(FLERR, "Illegal compute msd command"); + if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute msd average", error); avflag = utils::logical(FLERR, arg[iarg + 1], false, lmp); iarg += 2; } else - error->all(FLERR, "Illegal compute msd command"); + error->all(FLERR, "Unknown compute msd keyword: {}", arg[iarg]); } if (group->dynamic[igroup]) diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp index 3f99d14a8c..766ec88d8e 100644 --- a/src/fix_indent.cpp +++ b/src/fix_indent.cpp @@ -43,7 +43,7 @@ FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), xstr(nullptr), ystr(nullptr), zstr(nullptr), rstr(nullptr), pstr(nullptr) { - if (narg < 4) error->all(FLERR,"Illegal fix indent command"); + if (narg < 4) utils::missing_cmd_args(FLERR, "fix indent", error); scalar_flag = 1; vector_flag = 1; @@ -405,7 +405,7 @@ double FixIndent::compute_vector(int n) void FixIndent::options(int narg, char **arg) { - if (narg < 0) error->all(FLERR,"Illegal fix indent command"); + if (narg < 0) utils::missing_cmd_args(FLERR, "fix indent", error); istyle = NONE; xstr = ystr = zstr = rstr = pstr = nullptr; @@ -416,7 +416,7 @@ void FixIndent::options(int narg, char **arg) int iarg = 0; while (iarg < narg) { if (strcmp(arg[iarg],"sphere") == 0) { - if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command"); + if (iarg+5 > narg) utils::missing_cmd_args(FLERR, "fix indent sphere", error); if (utils::strmatch(arg[iarg+1],"^v_")) { xstr = utils::strdup(arg[iarg+1]+2); @@ -435,7 +435,7 @@ void FixIndent::options(int narg, char **arg) iarg += 5; } else if (strcmp(arg[iarg],"cylinder") == 0) { - if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command"); + if (iarg+5 > narg) utils::missing_cmd_args(FLERR, "fix indent cylinder", error); if (strcmp(arg[iarg+1],"x") == 0) { cdim = 0; @@ -461,7 +461,7 @@ void FixIndent::options(int narg, char **arg) if (utils::strmatch(arg[iarg+3],"^v_")) { ystr = utils::strdup(arg[iarg+3]+2); } else yvalue = utils::numeric(FLERR,arg[iarg+3],false,lmp); - } else error->all(FLERR,"Illegal fix indent command"); + } else error->all(FLERR,"Unknown fix indent cylinder argument: {}", arg[iarg+1]); if (utils::strmatch(arg[iarg+4],"^v_")) { rstr = utils::strdup(arg[iarg+4]+2); @@ -471,11 +471,11 @@ void FixIndent::options(int narg, char **arg) iarg += 5; } else if (strcmp(arg[iarg],"plane") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix indent command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix indent plane", error); if (strcmp(arg[iarg+1],"x") == 0) cdim = 0; else if (strcmp(arg[iarg+1],"y") == 0) cdim = 1; else if (strcmp(arg[iarg+1],"z") == 0) cdim = 2; - else error->all(FLERR,"Illegal fix indent command"); + else error->all(FLERR,"Unknown fix indent plane argument: {}", arg[iarg+1]); if (utils::strmatch(arg[iarg+2],"^v_")) { pstr = utils::strdup(arg[iarg+2]+2); @@ -483,23 +483,23 @@ void FixIndent::options(int narg, char **arg) if (strcmp(arg[iarg+3],"lo") == 0) planeside = -1; else if (strcmp(arg[iarg+3],"hi") == 0) planeside = 1; - else error->all(FLERR,"Illegal fix indent command"); + else error->all(FLERR,"Unknown fix indent plane argument: {}", arg[iarg+3]); istyle = PLANE; iarg += 4; } else if (strcmp(arg[iarg],"units") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix indent units", error); if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0; else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1; - else error->all(FLERR,"Illegal fix indent command"); + else error->all(FLERR,"Unknown fix indent units argument: {}", arg[iarg+1]); iarg += 2; } else if (strcmp(arg[iarg],"side") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix indent side", error); if (strcmp(arg[iarg+1],"in") == 0) side = INSIDE; else if (strcmp(arg[iarg+1],"out") == 0) side = OUTSIDE; - else error->all(FLERR,"Illegal fix indent command"); + else error->all(FLERR,"Unknown fix indent side argument: {}", arg[iarg+1]); iarg += 2; - } else error->all(FLERR,"Illegal fix indent command"); + } else error->all(FLERR,"Unknown fix indent argument: {}", arg[iarg]); } } diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index cb0408a50c..89fbf2ef45 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -60,7 +60,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : eta_mass(nullptr), etap(nullptr), etap_dot(nullptr), etap_dotdot(nullptr), etap_mass(nullptr) { - if (narg < 4) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (narg < 4) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph", error); restart_global = 1; dynamic_group_allow = 1; @@ -130,7 +130,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"temp") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph temp", error); tstat_flag = 1; t_start = utils::numeric(FLERR,arg[iarg+1],false,lmp); t_target = t_start; @@ -142,7 +142,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 4; } else if (strcmp(arg[iarg],"iso") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph iso", error); pcouple = XYZ; p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp); @@ -155,7 +155,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : } iarg += 4; } else if (strcmp(arg[iarg],"aniso") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph aniso", error); pcouple = NONE; p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp); @@ -168,7 +168,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : } iarg += 4; } else if (strcmp(arg[iarg],"tri") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tri", error); pcouple = NONE; scalexy = scalexz = scaleyz = 0; p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp); @@ -191,7 +191,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : } iarg += 4; } else if (strcmp(arg[iarg],"x") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph x", error); p_start[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[0] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[0] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -199,7 +199,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : deviatoric_flag = 1; iarg += 4; } else if (strcmp(arg[iarg],"y") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph y", error); p_start[1] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[1] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -207,7 +207,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : deviatoric_flag = 1; iarg += 4; } else if (strcmp(arg[iarg],"z") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph z", error); p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -218,7 +218,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation"); } else if (strcmp(arg[iarg],"yz") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph yz", error); p_start[3] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[3] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[3] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -229,7 +229,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : if (dimension == 2) error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation"); } else if (strcmp(arg[iarg],"xz") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph xz", error); p_start[4] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[4] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[4] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -240,7 +240,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : if (dimension == 2) error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation"); } else if (strcmp(arg[iarg],"xy") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph xy", error); p_start[5] = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_stop[5] = utils::numeric(FLERR,arg[iarg+2],false,lmp); p_period[5] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -250,7 +250,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 4; } else if (strcmp(arg[iarg],"couple") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph couple", error); if (strcmp(arg[iarg+1],"xyz") == 0) pcouple = XYZ; else if (strcmp(arg[iarg+1],"xy") == 0) pcouple = XY; else if (strcmp(arg[iarg+1],"yz") == 0) pcouple = YZ; @@ -260,18 +260,18 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"drag") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph drag", error); drag = utils::numeric(FLERR,arg[iarg+1],false,lmp); - if (drag < 0.0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (drag < 0.0) error->all(FLERR, "Invalid fix nvt/npt/nph drag argument: {}", drag); iarg += 2; } else if (strcmp(arg[iarg],"ptemp") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph ptemp", error); p_temp = utils::numeric(FLERR,arg[iarg+1],false,lmp); p_temp_flag = 1; - if (p_temp <= 0.0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (p_temp <= 0.0) error->all(FLERR, "Invalid fix nvt/npt/nph ptemp argument: {}", p_temp); iarg += 2; } else if (strcmp(arg[iarg],"dilate") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph dilate", error); if (strcmp(arg[iarg+1],"all") == 0) allremap = 1; else { allremap = 0; @@ -284,62 +284,62 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"tchain") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tchain", error); mtchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp); // used by FixNVTSllod to preserve non-default value mtchain_default_flag = 0; - if (mtchain < 1) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (mtchain < 1) error->all(FLERR, "Invalid fix nvt/npt/nph tchain argument: {}", mtchain); iarg += 2; } else if (strcmp(arg[iarg],"pchain") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph pchain", error); mpchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp); - if (mpchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (mpchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph pchain argument: {}", mpchain); iarg += 2; } else if (strcmp(arg[iarg],"mtk") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph mtk", error); mtk_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"tloop") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tloop", error); nc_tchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp); - if (nc_tchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (nc_tchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph tloop argument: {}", nc_tchain); iarg += 2; } else if (strcmp(arg[iarg],"ploop") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph ploop", error); nc_pchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp); - if (nc_pchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (nc_pchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph ploop argument: {}", nc_pchain); iarg += 2; } else if (strcmp(arg[iarg],"nreset") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph nreset", error); nreset_h0 = utils::inumeric(FLERR,arg[iarg+1],false,lmp); - if (nreset_h0 < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (nreset_h0 < 0) error->all(FLERR, "Invalid fix nvt/npt/nph nreset argument: {}", nreset_h0); iarg += 2; } else if (strcmp(arg[iarg],"scalexy") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scalexy", error); scalexy = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"scalexz") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scalexz", error); scalexz = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"scaleyz") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scaleyz", error); scaleyz = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"flip") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph flip", error); flipflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"update") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph update", error); if (strcmp(arg[iarg+1],"dipole") == 0) dipole_flag = 1; else if (strcmp(arg[iarg+1],"dipole/dlm") == 0) { dipole_flag = 1; dlm_flag = 1; - } else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + } else error->all(FLERR, "Invalid fix nvt/npt/nph update argument: {}", arg[iarg+1]); iarg += 2; } else if (strcmp(arg[iarg],"fixedpoint") == 0) { - if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); + if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph fixedpoint", error); fixedpoint[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp); fixedpoint[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp); fixedpoint[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp); @@ -359,7 +359,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"ext") == 0) { iarg += 2; - } else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + } else error->all(FLERR,"Unknown fix nvt/npt/nph keyword: {}", arg[iarg]); } // error checks