diff --git a/src/deprecated.cpp b/src/deprecated.cpp index 3558935cb3..81a05307cb 100644 --- a/src/deprecated.cpp +++ b/src/deprecated.cpp @@ -32,6 +32,10 @@ void Deprecated::command(int narg, char **arg) if (cmd == "DEPRECATED") { if (lmp->comm->me == 0) utils::logmesg(lmp, "\nCommand 'DEPRECATED' is a dummy command\n\n"); return; + } else if (cmd == "box") { + if (lmp->comm->me == 0) + utils::logmesg(lmp, "\nThe 'box' command has been removed and will be ignored\n\n"); + return; } else if (cmd == "reset_ids") { if (lmp->comm->me == 0) utils::logmesg(lmp, "\n'reset_ids' has been renamed to 'reset_atom_ids'\n\n"); diff --git a/src/deprecated.h b/src/deprecated.h index e2e7e396e9..2eb334b3ef 100644 --- a/src/deprecated.h +++ b/src/deprecated.h @@ -14,6 +14,7 @@ #ifdef COMMAND_CLASS // clang-format off CommandStyle(DEPRECATED,Deprecated); +CommandStyle(box,Deprecated); CommandStyle(reset_ids,Deprecated); CommandStyle(kim_init,Deprecated); CommandStyle(kim_interactions,Deprecated); diff --git a/src/domain.cpp b/src/domain.cpp index 6ed91d0ea8..c51f222483 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -82,7 +82,6 @@ Domain::Domain(LAMMPS *lmp) : Pointers(lmp) minzlo = minzhi = 0.0; triclinic = 0; - tiltsmall = 1; boxlo[0] = boxlo[1] = boxlo[2] = -0.5; boxhi[0] = boxhi[1] = boxhi[2] = 0.5; @@ -218,10 +217,8 @@ void Domain::set_initial_box(int expandflag) if ((fabs(xy/(boxhi[0]-boxlo[0])) > 0.5 && xperiodic) || (fabs(xz/(boxhi[0]-boxlo[0])) > 0.5 && xperiodic) || (fabs(yz/(boxhi[1]-boxlo[1])) > 0.5 && yperiodic)) { - if (tiltsmall) - error->all(FLERR,"Triclinic box skew is too large"); - else if (comm->me == 0) - error->warning(FLERR,"Triclinic box skew is large"); + if (comm->me == 0) + error->warning(FLERR,"Triclinic box skew is large. LAMMPS will run inefficiently."); } } @@ -1874,26 +1871,6 @@ void Domain::set_boundary(int narg, char **arg, int flag) } } -/* ---------------------------------------------------------------------- - set domain attributes -------------------------------------------------------------------------- */ - -void Domain::set_box(int narg, char **arg) -{ - if (narg < 1) utils::missing_cmd_args(FLERR, "box", error); - - int iarg = 0; - while (iarg < narg) { - if (strcmp(arg[iarg],"tilt") == 0) { - if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "box tilt", error); - if (strcmp(arg[iarg+1],"small") == 0) tiltsmall = 1; - else if (strcmp(arg[iarg+1],"large") == 0) tiltsmall = 0; - else error->all(FLERR,"Unknown box tilt argument: {}", arg[iarg+1]); - iarg += 2; - } else error->all(FLERR,"Unknown box keyword: {}", arg[iarg]); - } -} - /* ---------------------------------------------------------------------- print box info, orthogonal or triclinic ------------------------------------------------------------------------- */ diff --git a/src/domain.h b/src/domain.h index 8830c5d051..7d3194ccc9 100644 --- a/src/domain.h +++ b/src/domain.h @@ -41,7 +41,6 @@ class Domain : protected Pointers { // 3 = shrink-wrap non-per w/ min int triclinic; // 0 = orthog box, 1 = triclinic - int tiltsmall; // 1 if limit tilt, else 0 // orthogonal box @@ -141,7 +140,6 @@ class Domain : protected Pointers { const std::vector get_region_by_style(const std::string &) const; const std::vector get_region_list(); void set_boundary(int, char **, int); - void set_box(int, char **); void print_box(const std::string &); void boundary_string(char *); diff --git a/src/input.cpp b/src/input.cpp index 5128f0261f..a3c363b639 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -772,7 +772,6 @@ int Input::execute_command() else if (!strcmp(command,"bond_style")) bond_style(); else if (!strcmp(command,"bond_write")) bond_write(); else if (!strcmp(command,"boundary")) boundary(); - else if (!strcmp(command,"box")) box(); else if (!strcmp(command,"comm_modify")) comm_modify(); else if (!strcmp(command,"comm_style")) comm_style(); else if (!strcmp(command,"compute")) compute(); @@ -1411,15 +1410,6 @@ void Input::boundary() /* ---------------------------------------------------------------------- */ -void Input::box() -{ - if (domain->box_exist) - error->all(FLERR,"Box command after simulation box is defined"); - domain->set_box(narg,arg); -} - -/* ---------------------------------------------------------------------- */ - void Input::comm_modify() { comm->modify_params(narg,arg); diff --git a/src/input.h b/src/input.h index de4c393693..ebd7c13331 100644 --- a/src/input.h +++ b/src/input.h @@ -94,7 +94,6 @@ class Input : protected Pointers { void bond_style(); void bond_write(); void boundary(); - void box(); void comm_modify(); void comm_style(); void compute();