diff --git a/src/BOCS/fix_bocs.cpp b/src/BOCS/fix_bocs.cpp index a3ec4b6b56..786ff216b0 100644 --- a/src/BOCS/fix_bocs.cpp +++ b/src/BOCS/fix_bocs.cpp @@ -233,9 +233,7 @@ FixBocs::FixBocs(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"mtk") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix bocs command"); - if (strcmp(arg[iarg+1],"yes") == 0) mtk_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) mtk_flag = 0; - else error->all(FLERR,"Illegal fix bocs command"); + 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 bocs command"); diff --git a/src/EXTRA-COMPUTE/compute_ackland_atom.cpp b/src/EXTRA-COMPUTE/compute_ackland_atom.cpp index 05fd374a10..dc55167dc5 100644 --- a/src/EXTRA-COMPUTE/compute_ackland_atom.cpp +++ b/src/EXTRA-COMPUTE/compute_ackland_atom.cpp @@ -18,20 +18,22 @@ Updated algorithm by: Brian Barnes, brian.c.barnes11.civ@mail.mil ------------------------------------------------------------------------- */ -#include -#include #include "compute_ackland_atom.h" + #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "force.h" +#include "neighbor.h" #include "pair.h" -#include "comm.h" -#include "memory.h" -#include "error.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; @@ -60,16 +62,10 @@ ComputeAcklandAtom::ComputeAcklandAtom(LAMMPS *lmp, int narg, char **arg) : int iarg = 3; while (narg > iarg) { if (strcmp("legacy",arg[iarg]) == 0) { - ++iarg; - if (iarg >= narg) - error->all(FLERR,"Invalid compute ackland/atom command"); - if (strcmp("yes",arg[iarg]) == 0) - legacy = 1; - else if (strcmp("no",arg[iarg]) == 0) - legacy = 0; - else error->all(FLERR,"Invalid compute ackland/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Invalid compute ackland/atom command"); + legacy = utils::logical(FLERR,arg[iarg+1],false,lmp); + iarg += 2; } - ++iarg; } } diff --git a/src/atom.cpp b/src/atom.cpp index 43d2578828..9fe115f5aa 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -822,17 +822,13 @@ void Atom::modify_params(int narg, char **arg) if (strcmp(arg[iarg],"id") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command"); if (domain->box_exist) - error->all(FLERR, - "Atom_modify id command after simulation box is defined"); - if (strcmp(arg[iarg+1],"yes") == 0) tag_enable = 1; - else if (strcmp(arg[iarg+1],"no") == 0) tag_enable = 0; - else error->all(FLERR,"Illegal atom_modify command"); + error->all(FLERR,"Atom_modify id command after simulation box is defined"); + tag_enable = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"map") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command"); if (domain->box_exist) - error->all(FLERR, - "Atom_modify map command after simulation box is defined"); + error->all(FLERR,"Atom_modify map command after simulation box is defined"); if (strcmp(arg[iarg+1],"array") == 0) map_user = 1; else if (strcmp(arg[iarg+1],"hash") == 0) map_user = 2; else if (strcmp(arg[iarg+1],"yes") == 0) map_user = 3; diff --git a/src/comm.cpp b/src/comm.cpp index f79c48ace1..afe074cb5c 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -395,9 +395,7 @@ void Comm::modify_params(int narg, char **arg) iarg += 1; } else if (strcmp(arg[iarg],"vel") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal comm_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) ghost_velocity = 1; - else if (strcmp(arg[iarg+1],"no") == 0) ghost_velocity = 0; - else error->all(FLERR,"Illegal comm_modify command"); + ghost_velocity = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal comm_modify command"); } diff --git a/src/compute.cpp b/src/compute.cpp index 76a953484b..ba1d53e7c3 100644 --- a/src/compute.cpp +++ b/src/compute.cpp @@ -128,9 +128,7 @@ void Compute::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"dynamic") == 0 || strcmp(arg[iarg],"dynamic/dof") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute_modify command"); - if (strcmp(arg[iarg+1],"no") == 0) dynamic_user = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) dynamic_user = 1; - else error->all(FLERR,"Illegal compute_modify command"); + dynamic_user = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute_modify command"); } diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index 5816bee17a..90f535613b 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -17,19 +17,21 @@ ------------------------------------------------------------------------- */ #include "compute_centro_atom.h" -#include + #include "atom.h" -#include "update.h" -#include "modify.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "neigh_request.h" -#include "force.h" -#include "pair.h" #include "comm.h" +#include "error.h" +#include "force.h" #include "math_extra.h" #include "memory.h" -#include "error.h" +#include "modify.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + +#include using namespace LAMMPS_NS; @@ -55,11 +57,8 @@ ComputeCentroAtom::ComputeCentroAtom(LAMMPS *lmp, int narg, char **arg) : int iarg = 4; while (iarg < narg) { if (strcmp(arg[iarg],"axes") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute centro/atom command3"); - if (strcmp(arg[iarg+1],"yes") == 0) axes_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) axes_flag = 0; - else error->all(FLERR,"Illegal compute centro/atom command2"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute centro/atom command3"); + axes_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute centro/atom command1"); } diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index 5d789f722a..fc4f17e53a 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -220,9 +220,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"compress") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute chunk/atom command"); - else if (strcmp(arg[iarg+1],"no") == 0) compress = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) compress = 1; - else error->all(FLERR,"Illegal compute chunk/atom command"); + compress = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"discard") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute chunk/atom command"); @@ -255,9 +253,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"pbc") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute chunk/atom command"); - if (strcmp(arg[iarg+1],"no") == 0) pbcflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) pbcflag = 1; - else error->all(FLERR,"Illegal compute chunk/atom command"); + pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute chunk/atom command"); } diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index b0a72080df..9ed57fef60 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -54,9 +54,7 @@ ComputeFragmentAtom::ComputeFragmentAtom(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"single") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute fragment/atom command"); - if (strcmp(arg[iarg+1],"yes") == 0) singleflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) singleflag = 0; - else error->all(FLERR,"Illegal compute fragment/atom command"); + singleflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute fragment/atom command"); } diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index 161126b53a..db26a75880 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -19,21 +19,22 @@ #include "compute_group_group.h" -#include -#include #include "atom.h" -#include "update.h" -#include "force.h" -#include "pair.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "neigh_list.h" -#include "group.h" -#include "kspace.h" -#include "error.h" #include "comm.h" #include "domain.h" +#include "error.h" +#include "force.h" +#include "group.h" +#include "kspace.h" #include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; @@ -69,29 +70,19 @@ ComputeGroupGroup::ComputeGroupGroup(LAMMPS *lmp, int narg, char **arg) : int iarg = 4; while (iarg < narg) { if (strcmp(arg[iarg],"pair") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute group/group command"); - if (strcmp(arg[iarg+1],"yes") == 0) pairflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) pairflag = 0; - else error->all(FLERR,"Illegal compute group/group command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute group/group command"); + pairflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"kspace") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute group/group command"); - if (strcmp(arg[iarg+1],"yes") == 0) kspaceflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) kspaceflag = 0; - else error->all(FLERR,"Illegal compute group/group command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute group/group command"); + kspaceflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"boundary") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute group/group command"); - if (strcmp(arg[iarg+1],"yes") == 0) boundaryflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) boundaryflag = 0; - else error->all(FLERR,"Illegal compute group/group command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute group/group command"); + boundaryflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"molecule") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute group/group command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute group/group command"); if (strcmp(arg[iarg+1],"off") == 0) molflag = OFF; else if (strcmp(arg[iarg+1],"inter") == 0) molflag = INTER; else if (strcmp(arg[iarg+1],"intra") == 0) molflag = INTRA; diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index 209eec2810..7eee23a466 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -49,15 +49,11 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"com") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute msd command"); - if (strcmp(arg[iarg+1],"no") == 0) comflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) comflag = 1; - else error->all(FLERR,"Illegal compute msd command"); + 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 (strcmp(arg[iarg+1],"no") == 0) avflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) avflag = 1; - else error->all(FLERR,"Illegal compute msd command"); + avflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute msd command"); } diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index b77e68062f..d4291251b6 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -83,53 +83,41 @@ ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg int iarg = 3; while (iarg < narg) { if (strcmp(arg[iarg],"nnn") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); if (strcmp(arg[iarg+1],"NULL") == 0) { nnn = 0; } else { nnn = utils::numeric(FLERR,arg[iarg+1],false,lmp); - if (nnn <= 0) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (nnn <= 0) error->all(FLERR,"Illegal compute orientorder/atom command"); } iarg += 2; } else if (strcmp(arg[iarg],"degrees") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); nqlist = utils::numeric(FLERR,arg[iarg+1],false,lmp); - if (nqlist <= 0) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (nqlist <= 0) error->all(FLERR,"Illegal compute orientorder/atom command"); memory->destroy(qlist); memory->create(qlist,nqlist,"orientorder/atom:qlist"); iarg += 2; - if (iarg+nqlist > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+nqlist > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); qmax = 0; for (int il = 0; il < nqlist; il++) { qlist[il] = utils::numeric(FLERR,arg[iarg+il],false,lmp); - if (qlist[il] < 0) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (qlist[il] < 0) error->all(FLERR,"Illegal compute orientorder/atom command"); if (qlist[il] > qmax) qmax = qlist[il]; } iarg += nqlist; } else if (strcmp(arg[iarg],"wl") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); - if (strcmp(arg[iarg+1],"yes") == 0) wlflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) wlflag = 0; - else error->all(FLERR,"Illegal compute orientorder/atom command"); + wlflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"wl/hat") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); - if (strcmp(arg[iarg+1],"yes") == 0) wlhatflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) wlhatflag = 0; - else error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); + wlhatflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"components") == 0) { qlcompflag = 1; - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); qlcomp = utils::numeric(FLERR,arg[iarg+1],false,lmp); iqlcomp = -1; for (int il = 0; il < nqlist; il++) @@ -137,23 +125,18 @@ ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg iqlcomp = il; break; } - if (iqlcomp == -1) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iqlcomp == -1) error->all(FLERR,"Illegal compute orientorder/atom command"); iarg += 2; } else if (strcmp(arg[iarg],"cutoff") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); double cutoff = utils::numeric(FLERR,arg[iarg+1],false,lmp); - if (cutoff <= 0.0) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (cutoff <= 0.0) error->all(FLERR,"Illegal compute orientorder/atom command"); cutsq = cutoff*cutoff; iarg += 2; } else if (strcmp(arg[iarg],"chunksize") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute orientorder/atom command"); chunksize = utils::numeric(FLERR,arg[iarg+1],false,lmp); - if (chunksize <= 0) - error->all(FLERR,"Illegal compute orientorder/atom command"); + if (chunksize <= 0) error->all(FLERR,"Illegal compute orientorder/atom command"); iarg += 2; } else error->all(FLERR,"Illegal compute orientorder/atom command"); } diff --git a/src/compute_temp_chunk.cpp b/src/compute_temp_chunk.cpp index 60014c7e21..8798835071 100644 --- a/src/compute_temp_chunk.cpp +++ b/src/compute_temp_chunk.cpp @@ -14,15 +14,16 @@ #include "compute_temp_chunk.h" -#include #include "atom.h" -#include "update.h" -#include "force.h" -#include "modify.h" #include "compute_chunk_atom.h" #include "domain.h" -#include "memory.h" #include "error.h" +#include "force.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include using namespace LAMMPS_NS; @@ -76,26 +77,20 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"com") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute temp/chunk command"); - if (strcmp(arg[iarg+1],"yes") == 0) comflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) comflag = 0; - else error->all(FLERR,"Illegal compute temp/chunk command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute temp/chunk command"); + comflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"bias") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute temp/chunk command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute temp/chunk command"); biasflag = 1; id_bias = utils::strdup(arg[iarg+1]); iarg += 2; } else if (strcmp(arg[iarg],"adof") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute temp/chunk command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute temp/chunk command"); adof = utils::numeric(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"cdof") == 0) { - if (iarg+2 > narg) - error->all(FLERR,"Illegal compute temp/chunk command"); + if (iarg+2 > narg) error->all(FLERR,"Illegal compute temp/chunk command"); cdof = utils::numeric(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal compute temp/chunk command"); diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp index cdcdc42a45..8baf6f88f7 100644 --- a/src/create_atoms.cpp +++ b/src/create_atoms.cpp @@ -151,9 +151,7 @@ void CreateAtoms::command(int narg, char **arg) iarg += 3; } else if (strcmp(arg[iarg],"remap") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal create_atoms command"); - if (strcmp(arg[iarg+1],"yes") == 0) remapflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) remapflag = 0; - else error->all(FLERR,"Illegal create_atoms command"); + remapflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"mol") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal create_atoms command"); diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index 99cfdfa958..ab3bba7041 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -125,9 +125,7 @@ void CreateBonds::command(int narg, char **arg) while (iarg < narg) { if (strcmp(arg[iarg],"special") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal create_bonds command"); - if (strcmp(arg[iarg+1],"yes") == 0) specialflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) specialflag = 0; - else error->all(FLERR,"Illegal create_bonds command"); + specialflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal create_bonds command"); } diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index a9c25200d1..55b05e3d98 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -738,30 +738,21 @@ void DeleteAtoms::options(int narg, char **arg) while (iarg < narg) { if (strcmp(arg[iarg],"compress") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal delete_atoms command"); - if (strcmp(arg[iarg+1],"yes") == 0) compress_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) compress_flag = 0; - else error->all(FLERR,"Illegal delete_atoms command"); + compress_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"bond") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal delete_atoms command"); if (atom->molecular == Atom::ATOMIC) - error->all(FLERR,"Cannot delete_atoms bond yes for " - "non-molecular systems"); + error->all(FLERR,"Cannot delete_atoms bond yes for non-molecular systems"); if (atom->molecular == Atom::TEMPLATE) - error->all(FLERR,"Cannot use delete_atoms bond yes with " - "atom_style template"); - if (strcmp(arg[iarg+1],"yes") == 0) bond_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) bond_flag = 0; - else error->all(FLERR,"Illegal delete_atoms command"); + error->all(FLERR,"Cannot use delete_atoms bond yes with atom_style template"); + bond_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"mol") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal delete_atoms command"); if (atom->molecule_flag == 0) - error->all(FLERR,"Delete_atoms mol yes requires " - "atom attribute molecule"); - if (strcmp(arg[iarg+1],"yes") == 0) mol_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) mol_flag = 0; - else error->all(FLERR,"Illegal delete_atoms command"); + error->all(FLERR,"Delete_atoms mol yes requires atom attribute molecule"); + mol_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal delete_atoms command"); } diff --git a/src/dump.cpp b/src/dump.cpp index b42797833b..647fd3d38d 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -912,16 +912,12 @@ void Dump::modify_params(int narg, char **arg) while (iarg < narg) { if (strcmp(arg[iarg],"append") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) append_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) append_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + append_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"buffer") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) buffer_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) buffer_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + buffer_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); if (buffer_flag && buffer_allow == 0) error->all(FLERR,"Dump_modify buffer yes not allowed for this style"); iarg += 2; @@ -935,9 +931,7 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"header") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) write_header_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) write_header_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + header_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"every") == 0) { @@ -960,8 +954,7 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"fileper") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); if (!multiproc) - error->all(FLERR,"Cannot use dump_modify fileper " - "without % in dump file name"); + error->all(FLERR,"Cannot use dump_modify fileper without % in dump file name"); int nper = utils::inumeric(FLERR,arg[iarg+1],false,lmp); if (nper <= 0) error->all(FLERR,"Illegal dump_modify command"); @@ -986,16 +979,12 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"first") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) first_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) first_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + first_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"flush") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) flush_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) flush_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + flush_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"format") == 0) { @@ -1032,8 +1021,7 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"maxfiles") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); if (!multifile) - error->all(FLERR,"Cannot use dump_modify maxfiles " - "without * in dump file name"); + error->all(FLERR,"Cannot use dump_modify maxfiles without * in dump file name"); // wipe out existing storage if (maxfiles > 0) { for (int idx=0; idx < numfiles; ++idx) @@ -1053,8 +1041,7 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"nfile") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); if (!multiproc) - error->all(FLERR,"Cannot use dump_modify nfile " - "without % in dump file name"); + error->all(FLERR,"Cannot use dump_modify nfile without % in dump file name"); int nfile = utils::inumeric(FLERR,arg[iarg+1],false,lmp); if (nfile <= 0) error->all(FLERR,"Illegal dump_modify command"); nfile = MIN(nfile,nprocs); @@ -1090,9 +1077,7 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"pbc") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) pbcflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) pbcflag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"sort") == 0) { @@ -1117,16 +1102,12 @@ void Dump::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"time") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) time_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) time_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + time_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"units") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) unit_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) unit_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + unit_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else { diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index 79aaa1ffcd..f3a03735a3 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -13,13 +13,15 @@ ------------------------------------------------------------------------- */ #include "dump_atom.h" -#include -#include "domain.h" + #include "atom.h" -#include "memory.h" +#include "domain.h" #include "error.h" +#include "memory.h" #include "update.h" +#include + using namespace LAMMPS_NS; #define ONELINE 256 @@ -114,15 +116,11 @@ int DumpAtom::modify_param(int narg, char **arg) { if (strcmp(arg[0],"scale") == 0) { if (narg < 2) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[1],"yes") == 0) scale_flag = 1; - else if (strcmp(arg[1],"no") == 0) scale_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + scale_flag = utils::logical(FLERR,arg[1],false,lmp); return 2; } else if (strcmp(arg[0],"image") == 0) { if (narg < 2) error->all(FLERR,"Illegal dump_modify command"); - if (strcmp(arg[1],"yes") == 0) image_flag = 1; - else if (strcmp(arg[1],"no") == 0) image_flag = 0; - else error->all(FLERR,"Illegal dump_modify command"); + image_flag = utils::logical(FLERR,arg[1],false,lmp); return 2; } return 0; diff --git a/src/dump_image.cpp b/src/dump_image.cpp index f6ca49851d..c073d152f8 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -47,7 +47,7 @@ using namespace MathConst; enum{NUMERIC,ATOM,TYPE,ELEMENT,ATTRIBUTE}; enum{SPHERE,LINE,TRI}; // also in some Body and Fix child classes enum{STATIC,DYNAMIC}; -enum{NO,YES}; +enum{NO=0,YES=1}; /* ---------------------------------------------------------------------- */ @@ -146,9 +146,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"atom") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command"); - if (strcmp(arg[iarg+1],"yes") == 0) atomflag = YES; - else if (strcmp(arg[iarg+1],"no") == 0) atomflag = NO; - else error->all(FLERR,"Illegal dump image command"); + atomflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"adiam") == 0) { @@ -290,18 +288,14 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"box") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command"); - if (strcmp(arg[iarg+1],"yes") == 0) boxflag = YES; - else if (strcmp(arg[iarg+1],"no") == 0) boxflag = NO; - else error->all(FLERR,"Illegal dump image command"); + boxflag = utils::logical(FLERR,arg[iarg+1],false,lmp); boxdiam = utils::numeric(FLERR,arg[iarg+2],false,lmp); if (boxdiam < 0.0) error->all(FLERR,"Illegal dump image command"); iarg += 3; } else if (strcmp(arg[iarg],"axes") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command"); - if (strcmp(arg[iarg+1],"yes") == 0) axesflag = YES; - else if (strcmp(arg[iarg+1],"no") == 0) axesflag = NO; - else error->all(FLERR,"Illegal dump image command"); + axesflag = utils::logical(FLERR,arg[iarg+1],false,lmp); axeslen = utils::numeric(FLERR,arg[iarg+2],false,lmp); axesdiam = utils::numeric(FLERR,arg[iarg+3],false,lmp); if (axeslen < 0.0 || axesdiam < 0.0) @@ -310,9 +304,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"subbox") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command"); - if (strcmp(arg[iarg+1],"yes") == 0) subboxflag = YES; - else if (strcmp(arg[iarg+1],"no") == 0) subboxflag = NO; - else error->all(FLERR,"Illegal dump image command"); + subboxflag = utils::logical(FLERR,arg[iarg+1],false,lmp); subboxdiam = utils::numeric(FLERR,arg[iarg+2],false,lmp); if (subboxdiam < 0.0) error->all(FLERR,"Illegal dump image command"); iarg += 3; @@ -327,9 +319,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"ssao") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal dump image command"); - if (strcmp(arg[iarg+1],"yes") == 0) image->ssao = YES; - else if (strcmp(arg[iarg+1],"no") == 0) image->ssao = NO; - else error->all(FLERR,"Illegal dump image command"); + image->ssao = utils::logical(FLERR,arg[iarg+1],false,lmp); int seed = utils::inumeric(FLERR,arg[iarg+2],false,lmp); if (seed <= 0) error->all(FLERR,"Illegal dump image command"); image->seed = seed; diff --git a/src/fix.cpp b/src/fix.cpp index 8f5b60535c..996cd9b7d5 100644 --- a/src/fix.cpp +++ b/src/fix.cpp @@ -137,27 +137,19 @@ void Fix::modify_params(int narg, char **arg) while (iarg < narg) { if (strcmp(arg[iarg],"dynamic/dof") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command"); - if (strcmp(arg[iarg+1],"no") == 0) dynamic = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) dynamic = 1; - else error->all(FLERR,"Illegal fix_modify command"); + dynamic = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"energy") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command"); - if (strcmp(arg[iarg+1],"no") == 0) thermo_energy = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) { - if (energy_global_flag == 0 && energy_peratom_flag == 0) + thermo_energy = utils::logical(FLERR,arg[iarg+1],false,lmp); + if (thermo_energy && !energy_global_flag && !energy_peratom_flag) error->all(FLERR,"Illegal fix_modify command"); - thermo_energy = 1; - } else error->all(FLERR,"Illegal fix_modify command"); iarg += 2; } else if (strcmp(arg[iarg],"virial") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command"); - if (strcmp(arg[iarg+1],"no") == 0) thermo_virial = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) { - if (virial_global_flag == 0 && virial_peratom_flag == 0) - error->all(FLERR,"Illegal fix_modify command"); - thermo_virial = 1; - } else error->all(FLERR,"Illegal fix_modify command"); + thermo_virial = utils::logical(FLERR,arg[iarg+1],false,lmp); + if (thermo_virial && !virial_global_flag && !virial_peratom_flag) + error->all(FLERR,"Illegal fix_modify command"); iarg += 2; } else if (strcmp(arg[iarg],"respa") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command"); diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 358cf8045f..766dc9cd74 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -158,21 +158,15 @@ nadapt(0), id_fix_diam(nullptr), id_fix_chg(nullptr), adapt(nullptr) while (iarg < narg) { if (strcmp(arg[iarg],"reset") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix adapt command"); - if (strcmp(arg[iarg+1],"no") == 0) resetflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) resetflag = 1; - else error->all(FLERR,"Illegal fix adapt command"); + resetflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"scale") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix adapt command"); - if (strcmp(arg[iarg+1],"no") == 0) scaleflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) scaleflag = 1; - else error->all(FLERR,"Illegal fix adapt command"); + scaleflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"mass") == 0) { if (iarg+2 > narg)error->all(FLERR,"Illegal fix adapt command"); - if (strcmp(arg[iarg+1],"no") == 0) massflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) massflag = 1; - else error->all(FLERR,"Illegal fix adapt command"); + massflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix adapt command"); } diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index e80a4db593..7988657339 100644 --- a/src/fix_box_relax.cpp +++ b/src/fix_box_relax.cpp @@ -196,21 +196,15 @@ FixBoxRelax::FixBoxRelax(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"scalexy") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix box/relax command"); - if (strcmp(arg[iarg+1],"yes") == 0) scalexy = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scalexy = 0; - else error->all(FLERR,"Illegal fix box/relax command"); + 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 box/relax command"); - if (strcmp(arg[iarg+1],"yes") == 0) scalexz = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scalexz = 0; - else error->all(FLERR,"Illegal fix box/relax command"); + 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 box/relax command"); - if (strcmp(arg[iarg+1],"yes") == 0) scaleyz = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scaleyz = 0; - else error->all(FLERR,"Illegal fix box/relax command"); + scaleyz = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"fixedpoint") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal fix box/relax command"); diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 4d923ae7ff..71429ac0f8 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -1008,9 +1008,7 @@ void FixDeform::options(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"flip") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix deform command"); - if (strcmp(arg[iarg+1],"yes") == 0) flipflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) flipflag = 0; - else error->all(FLERR,"Illegal fix deform command"); + flipflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix deform command"); } diff --git a/src/fix_evaporate.cpp b/src/fix_evaporate.cpp index ceb9f52818..531dcf9ffd 100644 --- a/src/fix_evaporate.cpp +++ b/src/fix_evaporate.cpp @@ -14,19 +14,20 @@ #include "fix_evaporate.h" -#include #include "atom.h" #include "atom_vec.h" -#include "molecule.h" -#include "update.h" -#include "domain.h" -#include "region.h" #include "comm.h" +#include "domain.h" +#include "error.h" #include "force.h" #include "group.h" -#include "random_park.h" #include "memory.h" -#include "error.h" +#include "molecule.h" +#include "random_park.h" +#include "region.h" +#include "update.h" + +#include using namespace LAMMPS_NS; using namespace FixConst; @@ -69,9 +70,7 @@ FixEvaporate::FixEvaporate(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"molecule") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix evaporate command"); - if (strcmp(arg[iarg+1],"no") == 0) molflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) molflag = 1; - else error->all(FLERR,"Illegal fix evaporate command"); + molflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix evaporate command"); } diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp index 3e207baae7..263386e2b0 100644 --- a/src/fix_halt.cpp +++ b/src/fix_halt.cpp @@ -34,7 +34,7 @@ using namespace FixConst; enum{BONDMAX,TLIMIT,DISKFREE,VARIABLE}; enum{LT,LE,GT,GE,EQ,NEQ,XOR}; enum{HARD,SOFT,CONTINUE}; -enum{NOMSG,YESMSG}; +enum{NOMSG=0,YESMSG=1}; /* ---------------------------------------------------------------------- */ @@ -102,9 +102,7 @@ FixHalt::FixHalt(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"message") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix halt command"); - if (strcmp(arg[iarg+1],"no") == 0) msgflag = NOMSG; - else if (strcmp(arg[iarg+1],"yes") == 0) msgflag = YESMSG; - else error->all(FLERR,"Illegal fix halt command"); + msgflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"path") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix halt command"); diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index ef1cb4eeaf..6e770689dc 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -128,9 +128,7 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"omega") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix langevin command"); - if (strcmp(arg[iarg+1],"no") == 0) oflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) oflag = 1; - else error->all(FLERR,"Illegal fix langevin command"); + oflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"scale") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal fix langevin command"); @@ -142,15 +140,11 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) : iarg += 3; } else if (strcmp(arg[iarg],"tally") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix langevin command"); - if (strcmp(arg[iarg+1],"no") == 0) tallyflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) tallyflag = 1; - else error->all(FLERR,"Illegal fix langevin command"); + tallyflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"zero") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix langevin command"); - if (strcmp(arg[iarg+1],"no") == 0) zeroflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) zeroflag = 1; - else error->all(FLERR,"Illegal fix langevin command"); + zeroflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix langevin command"); } diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index c906000ec5..91be322d82 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -17,23 +17,25 @@ ------------------------------------------------------------------------- */ #include "fix_nh.h" -#include -#include + #include "atom.h" +#include "comm.h" +#include "compute.h" +#include "domain.h" +#include "error.h" +#include "fix_deform.h" #include "force.h" #include "group.h" -#include "comm.h" -#include "neighbor.h" #include "irregular.h" -#include "modify.h" -#include "fix_deform.h" -#include "compute.h" #include "kspace.h" -#include "update.h" -#include "respa.h" -#include "domain.h" #include "memory.h" -#include "error.h" +#include "modify.h" +#include "neighbor.h" +#include "respa.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace FixConst; @@ -297,9 +299,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"mtk") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); - if (strcmp(arg[iarg+1],"yes") == 0) mtk_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) mtk_flag = 0; - else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + 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"); @@ -318,27 +318,19 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"scalexy") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command"); - if (strcmp(arg[iarg+1],"yes") == 0) scalexy = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scalexy = 0; - else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + 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 (strcmp(arg[iarg+1],"yes") == 0) scalexz = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scalexz = 0; - else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + 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 (strcmp(arg[iarg+1],"yes") == 0) scaleyz = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scaleyz = 0; - else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + 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 (strcmp(arg[iarg+1],"yes") == 0) flipflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) flipflag = 0; - else error->all(FLERR,"Illegal fix nvt/npt/nph command"); + 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"); diff --git a/src/fix_print.cpp b/src/fix_print.cpp index fa1eba4842..df5b5f77ff 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -64,14 +64,12 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) : else fp = fopen(arg[iarg+1],"a"); if (fp == nullptr) error->one(FLERR,"Cannot open fix print file {}: {}", - arg[iarg+1], utils::getsyserror()); + arg[iarg+1], utils::getsyserror()); } iarg += 2; } else if (strcmp(arg[iarg],"screen") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix print command"); - if (strcmp(arg[iarg+1],"yes") == 0) screenflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) screenflag = 0; - else error->all(FLERR,"Illegal fix print command"); + screenflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"title") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix print command"); diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 8fcb0f2af0..f90d83af4b 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -151,9 +151,7 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"ghost") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix property/atom command"); - if (strcmp(arg[iarg+1],"no") == 0) border = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) border = 1; - else error->all(FLERR,"Illegal fix property/atom command"); + border = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix property/atom command"); } diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index e4d1634a07..cd29e785ec 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -231,9 +231,7 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"com") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix store/state command"); - if (strcmp(arg[iarg+1],"no") == 0) comflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) comflag = 1; - else error->all(FLERR,"Illegal fix store/state command"); + comflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix store/state command"); } @@ -246,16 +244,13 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : if (icompute < 0) error->all(FLERR,"Compute ID for fix store/state does not exist"); if (modify->compute[icompute]->peratom_flag == 0) - error->all(FLERR,"Fix store/state compute " - "does not calculate per-atom values"); + error->all(FLERR,"Fix store/state compute does not calculate per-atom values"); if (argindex[i] == 0 && modify->compute[icompute]->size_peratom_cols != 0) - error->all(FLERR,"Fix store/state compute does not " - "calculate a per-atom vector"); + error->all(FLERR,"Fix store/state compute does not calculate a per-atom vector"); if (argindex[i] && modify->compute[icompute]->size_peratom_cols == 0) error->all(FLERR, - "Fix store/state compute does not " - "calculate a per-atom array"); + "Fix store/state compute does not calculate a per-atom array"); if (argindex[i] && argindex[i] > modify->compute[icompute]->size_peratom_cols) error->all(FLERR, diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp index bec669ff10..0c3623857e 100644 --- a/src/fix_wall.cpp +++ b/src/fix_wall.cpp @@ -128,15 +128,11 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) : iarg += 2; } else if (strcmp(arg[iarg],"fld") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix wall command"); - if (strcmp(arg[iarg+1],"no") == 0) fldflag = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) fldflag = 1; - else error->all(FLERR,"Illegal fix wall command"); + fldflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"pbc") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix wall command"); - if (strcmp(arg[iarg+1],"yes") == 0) pbcflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) pbcflag = 0; - else error->all(FLERR,"Illegal fix wall command"); + pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal fix wall command"); } diff --git a/src/force.cpp b/src/force.cpp index 62d9738206..6b7e9033ca 100644 --- a/src/force.cpp +++ b/src/force.cpp @@ -811,15 +811,11 @@ void Force::set_special(int narg, char **arg) iarg += 4; } else if (strcmp(arg[iarg],"angle") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal special_bonds command"); - if (strcmp(arg[iarg+1],"no") == 0) special_angle = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) special_angle = 1; - else error->all(FLERR,"Illegal special_bonds command"); + special_angle = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"dihedral") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal special_bonds command"); - if (strcmp(arg[iarg+1],"no") == 0) special_dihedral = 0; - else if (strcmp(arg[iarg+1],"yes") == 0) special_dihedral = 1; - else error->all(FLERR,"Illegal special_bonds command"); + special_dihedral = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal special_bonds command"); } diff --git a/src/input.cpp b/src/input.cpp index f67438d635..bfd0d56632 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -1068,19 +1068,14 @@ void Input::partition() { if (narg < 3) error->all(FLERR,"Illegal partition command"); - int yesflag = 0; - if (strcmp(arg[0],"yes") == 0) yesflag = 1; - else if (strcmp(arg[0],"no") == 0) yesflag = 0; - else error->all(FLERR,"Illegal partition command"); - int ilo,ihi; + int yesflag = utils::logical(FLERR,arg[0],false,lmp); utils::bounds(FLERR,arg[1],1,universe->nworlds,ilo,ihi,error); // new command starts at the 3rd argument, // which must not be another partition command - if (strcmp(arg[2],"partition") == 0) - error->all(FLERR,"Illegal partition command"); + if (strcmp(arg[2],"partition") == 0) error->all(FLERR,"Illegal partition command"); char *cmd = strstr(line,arg[2]); @@ -1123,21 +1118,16 @@ void Input::print() if (strcmp(arg[iarg],"file") == 0) fp = fopen(arg[iarg+1],"w"); else fp = fopen(arg[iarg+1],"a"); if (fp == nullptr) - error->one(FLERR,"Cannot open print file {}: {}", - arg[iarg+1], utils::getsyserror()); + error->one(FLERR,"Cannot open print file {}: {}", arg[iarg+1], utils::getsyserror()); } iarg += 2; } else if (strcmp(arg[iarg],"screen") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal print command"); - if (strcmp(arg[iarg+1],"yes") == 0) screenflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) screenflag = 0; - else error->all(FLERR,"Illegal print command"); + screenflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"universe") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal print command"); - if (strcmp(arg[iarg+1],"yes") == 0) universeflag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) universeflag = 0; - else error->all(FLERR,"Illegal print command"); + universeflag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else error->all(FLERR,"Illegal print command"); } diff --git a/src/kspace.cpp b/src/kspace.cpp index a18a9ca702..fb995fca8a 100644 --- a/src/kspace.cpp +++ b/src/kspace.cpp @@ -480,8 +480,7 @@ void KSpace::modify_params(int narg, char **arg) if (nx_pppm_6 == 0 && ny_pppm_6 == 0 && nz_pppm_6 == 0) gridflag_6 = 0; else if (nx_pppm_6 <= 0 || ny_pppm_6 <= 0 || nz_pppm_6 == 0) - error->all(FLERR,"Kspace_modify mesh/disp parameters must be all " - "zero or all positive"); + error->all(FLERR,"Kspace_modify mesh/disp parameters must be all zero or all positive"); else gridflag_6 = 1; iarg += 4; } else if (strcmp(arg[iarg],"order") == 0) { @@ -499,9 +498,7 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"overlap") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) overlap_allowed = 1; - else if (strcmp(arg[iarg+1],"no") == 0) overlap_allowed = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + overlap_allowed = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"force") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); @@ -535,21 +532,15 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"compute") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) compute_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) compute_flag = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + compute_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"fftbench") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) fftbench = 1; - else if (strcmp(arg[iarg+1],"no") == 0) fftbench = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + fftbench = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"collective") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) collective_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) collective_flag = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + collective_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"diff") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); @@ -559,9 +550,7 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"cutoff/adjust") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) adjust_cutoff_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) adjust_cutoff_flag = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + adjust_cutoff_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"kmax/ewald") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal kspace_modify command"); @@ -598,15 +587,11 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"pressure/scalar") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) scalar_pressure_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) scalar_pressure_flag = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + scalar_pressure_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"disp/auto") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) auto_disp_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) auto_disp_flag = 0; - else error->all(FLERR,"Illegal kspace_modify command"); + auto_disp_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else { int n = modify_param(narg-iarg,&arg[iarg]); diff --git a/src/min.cpp b/src/min.cpp index ab8b1a5235..4780cf31eb 100644 --- a/src/min.cpp +++ b/src/min.cpp @@ -705,15 +705,11 @@ void Min::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"halfstepback") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) halfstepback_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) halfstepback_flag = 0; - else error->all(FLERR,"Illegal min_modify command"); + halfstepback_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"initialdelay") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) delaystep_start_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) delaystep_start_flag = 0; - else error->all(FLERR,"Illegal min_modify command"); + delaystep_start_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"vdfmax") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command"); diff --git a/src/neighbor.cpp b/src/neighbor.cpp index d58823063c..c88885fc54 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -2404,15 +2404,11 @@ void Neighbor::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"check") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) dist_check = 1; - else if (strcmp(arg[iarg+1],"no") == 0) dist_check = 0; - else error->all(FLERR,"Illegal neigh_modify command"); + dist_check = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"once") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) build_once = 1; - else if (strcmp(arg[iarg+1],"no") == 0) build_once = 0; - else error->all(FLERR,"Illegal neigh_modify command"); + build_once = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"page") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command"); @@ -2432,9 +2428,7 @@ void Neighbor::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"cluster") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) cluster_check = 1; - else if (strcmp(arg[iarg+1],"no") == 0) cluster_check = 0; - else error->all(FLERR,"Illegal neigh_modify command"); + cluster_check = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"include") == 0) { diff --git a/src/pair.cpp b/src/pair.cpp index 38a21481cd..6805166150 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -167,9 +167,7 @@ void Pair::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"shift") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) offset_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) offset_flag = 0; - else error->all(FLERR,"Illegal pair_modify command"); + offset_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"table") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command"); @@ -193,15 +191,11 @@ void Pair::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"tail") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) tail_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) tail_flag = 0; - else error->all(FLERR,"Illegal pair_modify command"); + tail_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"compute") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command"); - if (strcmp(arg[iarg+1],"yes") == 0) compute_flag = 1; - else if (strcmp(arg[iarg+1],"no") == 0) compute_flag = 0; - else error->all(FLERR,"Illegal pair_modify command"); + compute_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"nofdotr") == 0) { no_virial_fdotr_compute = 1; diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 67e0a70249..d1b5e5bd2e 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -918,8 +918,7 @@ void PairHybrid::modify_params(int narg, char **arg) again: if (iarg < narg && strcmp(arg[iarg],"special") == 0) { - if (narg < iarg+5) - error->all(FLERR,"Illegal pair_modify special command"); + if (narg < iarg+5) error->all(FLERR,"Illegal pair_modify special command"); modify_special(m,narg-iarg,&arg[iarg+1]); iarg += 5; goto again; @@ -929,13 +928,8 @@ again: // set flag to register TALLY computes accordingly if (iarg < narg && strcmp(arg[iarg],"compute/tally") == 0) { - if (narg < iarg+2) - error->all(FLERR,"Illegal pair_modify compute/tally command"); - if (strcmp(arg[iarg+1],"yes") == 0) { - compute_tally[m] = 1; - } else if (strcmp(arg[iarg+1],"no") == 0) { - compute_tally[m] = 0; - } else error->all(FLERR,"Illegal pair_modify compute/tally command"); + if (narg < iarg+2) error->all(FLERR,"Illegal pair_modify compute/tally command"); + compute_tally[m] = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; goto again; } diff --git a/unittest/commands/test_simple_commands.cpp b/unittest/commands/test_simple_commands.cpp index 8b57c26af1..b2e5ac1838 100644 --- a/unittest/commands/test_simple_commands.cpp +++ b/unittest/commands/test_simple_commands.cpp @@ -160,7 +160,8 @@ TEST_F(SimpleCommandsTest, Partition) BEGIN_HIDE_OUTPUT(); command("echo none"); END_HIDE_OUTPUT(); - TEST_FAILURE(".*ERROR: Illegal partition command .*", command("partition xxx 1 echo none");); + TEST_FAILURE(".*ERROR: Expected boolean parameter instead of 'xxx'.*", + command("partition xxx 1 echo none");); TEST_FAILURE(".*ERROR: Numeric index 2 is out of bounds.*", command("partition yes 2 echo none");); diff --git a/unittest/formats/test_dump_atom.cpp b/unittest/formats/test_dump_atom.cpp index b11dd4e800..8a3dab44a4 100644 --- a/unittest/formats/test_dump_atom.cpp +++ b/unittest/formats/test_dump_atom.cpp @@ -120,7 +120,7 @@ TEST_F(DumpAtomTest, format_line_run0) TEST_F(DumpAtomTest, no_scale_run0) { auto dump_file = "dump_no_scale_run0.melt"; - generate_dump(dump_file, "scale no", 0); + generate_dump(dump_file, "scale off", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -135,7 +135,7 @@ TEST_F(DumpAtomTest, no_scale_run0) TEST_F(DumpAtomTest, no_buffer_no_scale_run0) { auto dump_file = "dump_no_buffer_no_scale_run0.melt"; - generate_dump(dump_file, "buffer no scale no", 0); + generate_dump(dump_file, "buffer false scale false", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -150,7 +150,7 @@ TEST_F(DumpAtomTest, no_buffer_no_scale_run0) TEST_F(DumpAtomTest, no_buffer_with_scale_run0) { auto dump_file = "dump_no_buffer_with_scale_run0.melt"; - generate_dump(dump_file, "buffer no scale yes", 0); + generate_dump(dump_file, "buffer 0 scale 1", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -165,7 +165,7 @@ TEST_F(DumpAtomTest, no_buffer_with_scale_run0) TEST_F(DumpAtomTest, with_image_run0) { auto dump_file = "dump_with_image_run0.melt"; - generate_dump(dump_file, "scale no image yes", 0); + generate_dump(dump_file, "scale no image on", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -178,7 +178,7 @@ TEST_F(DumpAtomTest, with_image_run0) TEST_F(DumpAtomTest, with_units_run0) { auto dump_file = "dump_with_units_run0.melt"; - generate_dump(dump_file, "scale no units yes", 0); + generate_dump(dump_file, "scale false units 1", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -193,7 +193,7 @@ TEST_F(DumpAtomTest, with_units_run0) TEST_F(DumpAtomTest, with_time_run0) { auto dump_file = "dump_with_time_run0.melt"; - generate_dump(dump_file, "scale no time yes", 0); + generate_dump(dump_file, "scale off time true", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -207,7 +207,7 @@ TEST_F(DumpAtomTest, with_time_run0) TEST_F(DumpAtomTest, with_units_run1) { auto dump_file = "dump_with_units_run1.melt"; - generate_dump(dump_file, "scale no units yes", 1); + generate_dump(dump_file, "scale 0 units on", 1); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -222,7 +222,7 @@ TEST_F(DumpAtomTest, with_units_run1) TEST_F(DumpAtomTest, no_buffer_with_scale_and_image_run0) { auto dump_file = "dump_no_buffer_with_scale_and_image_run0.melt"; - generate_dump(dump_file, "buffer no scale yes image yes", 0); + generate_dump(dump_file, "buffer 0 scale 1 image true", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -253,7 +253,7 @@ TEST_F(DumpAtomTest, triclinic_with_units_run0) { auto dump_file = "dump_triclinic_with_units_run0.melt"; enable_triclinic(); - generate_dump(dump_file, "units yes", 0); + generate_dump(dump_file, "units on", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -271,7 +271,7 @@ TEST_F(DumpAtomTest, triclinic_with_time_run0) { auto dump_file = "dump_triclinic_with_time_run0.melt"; enable_triclinic(); - generate_dump(dump_file, "time yes", 0); + generate_dump(dump_file, "time on", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); @@ -548,7 +548,8 @@ TEST_F(DumpAtomTest, dump_modify_scale_invalid) command("dump id all atom 1 dump.txt"); END_HIDE_OUTPUT(); - TEST_FAILURE(".*Illegal dump_modify command.*", command("dump_modify id scale true");); + TEST_FAILURE(".*Expected boolean parameter instead of 'xxx'.*", + command("dump_modify id scale xxx");); } TEST_F(DumpAtomTest, dump_modify_image_invalid) @@ -557,7 +558,8 @@ TEST_F(DumpAtomTest, dump_modify_image_invalid) command("dump id all atom 1 dump.txt"); END_HIDE_OUTPUT(); - TEST_FAILURE(".*Illegal dump_modify command.*", command("dump_modify id image true");); + TEST_FAILURE(".*Expected boolean parameter instead of 'xxx'.*", + command("dump_modify id image xxx");); } TEST_F(DumpAtomTest, dump_modify_invalid)