improved some error messages in velocity.cpp and dump.cpp
This commit is contained in:
62
src/dump.cpp
62
src/dump.cpp
@ -1035,31 +1035,31 @@ void Dump::balance()
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void Dump::modify_params(int narg, char **arg)
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void Dump::modify_params(int narg, char **arg)
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{
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{
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if (narg == 0) error->all(FLERR,"Illegal dump_modify command");
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if (narg == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
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int iarg = 0;
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int iarg = 0;
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while (iarg < narg) {
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while (iarg < narg) {
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if (strcmp(arg[iarg],"append") == 0) {
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if (strcmp(arg[iarg],"append") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify append", error);
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append_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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append_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"buffer") == 0) {
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} else if (strcmp(arg[iarg],"buffer") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify buffer", error);
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buffer_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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buffer_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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if (buffer_flag && buffer_allow == 0)
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if (buffer_flag && buffer_allow == 0)
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error->all(FLERR,"Dump_modify buffer yes not allowed for this style");
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error->all(FLERR,"Dump_modify buffer yes not allowed for this style");
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"delay") == 0) {
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} else if (strcmp(arg[iarg],"delay") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify delay", error);
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delaystep = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
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delaystep = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
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if (delaystep >= 0) delay_flag = 1;
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if (delaystep >= 0) delay_flag = 1;
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else delay_flag = 0;
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else delay_flag = 0;
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"every") == 0) {
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} else if (strcmp(arg[iarg],"every") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify every", error);
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int idump;
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int idump;
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for (idump = 0; idump < output->ndump; idump++)
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for (idump = 0; idump < output->ndump; idump++)
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if (strcmp(id,output->dump[idump]->id) == 0) break;
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if (strcmp(id,output->dump[idump]->id) == 0) break;
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@ -1070,14 +1070,14 @@ void Dump::modify_params(int narg, char **arg)
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n = 0;
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n = 0;
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} else {
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} else {
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n = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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n = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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if (n <= 0) error->all(FLERR,"Illegal dump_modify command");
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if (n <= 0) error->all(FLERR, "Invalid dump_modify every argument: {}", n);
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}
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}
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output->mode_dump[idump] = 0;
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output->mode_dump[idump] = 0;
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output->every_dump[idump] = n;
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output->every_dump[idump] = n;
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"every/time") == 0) {
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} else if (strcmp(arg[iarg],"every/time") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify every/time", error);
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int idump;
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int idump;
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for (idump = 0; idump < output->ndump; idump++)
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for (idump = 0; idump < output->ndump; idump++)
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if (strcmp(id,output->dump[idump]->id) == 0) break;
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if (strcmp(id,output->dump[idump]->id) == 0) break;
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@ -1088,7 +1088,7 @@ void Dump::modify_params(int narg, char **arg)
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delta = 0.0;
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delta = 0.0;
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} else {
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} else {
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delta = utils::numeric(FLERR,arg[iarg+1],false,lmp);
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delta = utils::numeric(FLERR,arg[iarg+1],false,lmp);
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if (delta <= 0.0) error->all(FLERR,"Illegal dump_modify command");
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if (delta <= 0.0) error->all(FLERR, "Invalid dump_modify every/time argument: {}", delta);
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}
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}
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output->mode_dump[idump] = 1;
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output->mode_dump[idump] = 1;
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output->every_time_dump[idump] = delta;
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output->every_time_dump[idump] = delta;
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@ -1096,11 +1096,11 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"fileper") == 0) {
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} else if (strcmp(arg[iarg],"fileper") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify fileper", error);
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if (!multiproc)
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if (!multiproc)
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error->all(FLERR,"Cannot use dump_modify fileper without % in dump file name");
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error->all(FLERR,"Cannot use dump_modify fileper without % in dump file name");
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int nper = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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int nper = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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if (nper <= 0) error->all(FLERR,"Illegal dump_modify command");
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if (nper <= 0) error->all(FLERR, "Invalid dump_modify fileper argument: {}", nper);
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multiproc = nprocs/nper;
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multiproc = nprocs/nper;
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if (nprocs % nper) multiproc++;
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if (nprocs % nper) multiproc++;
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@ -1122,22 +1122,22 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"first") == 0) {
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} else if (strcmp(arg[iarg],"first") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify first", error);
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first_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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first_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"flush") == 0) {
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} else if (strcmp(arg[iarg],"flush") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify flush", error);
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flush_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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flush_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"colname") == 0) {
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} else if (strcmp(arg[iarg],"colname") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify colname", error);
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if (strcmp(arg[iarg+1],"default") == 0) {
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if (strcmp(arg[iarg+1],"default") == 0) {
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for (auto item : keyword_user) item.clear();
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for (auto item : keyword_user) item.clear();
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iarg += 2;
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iarg += 2;
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} else {
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} else {
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if (iarg+3 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "dump_modify colname", error);
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int icol = -1;
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int icol = -1;
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if (utils::is_integer(arg[iarg + 1])) {
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if (utils::is_integer(arg[iarg + 1])) {
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icol = utils::inumeric(FLERR,arg[iarg + 1],false,lmp);
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icol = utils::inumeric(FLERR,arg[iarg + 1],false,lmp);
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@ -1157,7 +1157,7 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 3;
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iarg += 3;
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}
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}
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} else if (strcmp(arg[iarg],"format") == 0) {
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} else if (strcmp(arg[iarg],"format") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify format", error);
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if (strcmp(arg[iarg+1],"none") == 0) {
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if (strcmp(arg[iarg+1],"none") == 0) {
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delete[] format_line_user;
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delete[] format_line_user;
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@ -1175,7 +1175,7 @@ void Dump::modify_params(int narg, char **arg)
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continue;
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continue;
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}
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}
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if (iarg+3 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "dump_modify format", error);
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if (strcmp(arg[iarg+1],"line") == 0) {
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if (strcmp(arg[iarg+1],"line") == 0) {
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delete[] format_line_user;
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delete[] format_line_user;
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@ -1183,17 +1183,17 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 3;
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iarg += 3;
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} else { // pass other format options to child classes
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} else { // pass other format options to child classes
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int n = modify_param(narg-iarg,&arg[iarg]);
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int n = modify_param(narg-iarg,&arg[iarg]);
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if (n == 0) error->all(FLERR,"Illegal dump_modify command");
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if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
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iarg += n;
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iarg += n;
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}
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}
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} else if (strcmp(arg[iarg],"header") == 0) {
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} else if (strcmp(arg[iarg],"header") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify header", error);
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write_header_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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write_header_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"maxfiles") == 0) {
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} else if (strcmp(arg[iarg],"maxfiles") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify maxfiles", error);
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if (!multifile)
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if (!multifile)
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error->all(FLERR,"Cannot use dump_modify maxfiles without * in dump file name");
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error->all(FLERR,"Cannot use dump_modify maxfiles without * in dump file name");
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// wipe out existing storage
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// wipe out existing storage
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@ -1203,7 +1203,7 @@ void Dump::modify_params(int narg, char **arg)
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delete[] nameslist;
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delete[] nameslist;
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}
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}
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maxfiles = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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maxfiles = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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if (maxfiles == 0) error->all(FLERR,"Illegal dump_modify command");
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if (maxfiles == 0) error->all(FLERR, "Invalid dump_modify maxfiles argument: {}", maxfiles);
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if (maxfiles > 0) {
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if (maxfiles > 0) {
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nameslist = new char*[maxfiles];
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nameslist = new char*[maxfiles];
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numfiles = 0;
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numfiles = 0;
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@ -1213,11 +1213,11 @@ void Dump::modify_params(int narg, char **arg)
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}
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}
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"nfile") == 0) {
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} else if (strcmp(arg[iarg],"nfile") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify nfile", error);
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if (!multiproc)
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if (!multiproc)
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error->all(FLERR,"Cannot use dump_modify nfile without % in dump file name");
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error->all(FLERR,"Cannot use dump_modify nfile without % in dump file name");
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int nfile = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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int nfile = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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if (nfile <= 0) error->all(FLERR,"Illegal dump_modify command");
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if (nfile <= 0) error->all(FLERR, "Invalid dump_modify nfile argument: {}", nfile);
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nfile = MIN(nfile,nprocs);
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nfile = MIN(nfile,nprocs);
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multiproc = nfile;
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multiproc = nfile;
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@ -1244,18 +1244,18 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"pad") == 0) {
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} else if (strcmp(arg[iarg],"pad") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify pad", error);
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padflag = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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padflag = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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if (padflag < 0) error->all(FLERR,"Illegal dump_modify command");
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if (padflag < 0) error->all(FLERR, "Invalid dump_modify pad argument: {}", padflag);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"pbc") == 0) {
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} else if (strcmp(arg[iarg],"pbc") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify pbc", error);
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pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"sort") == 0) {
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} else if (strcmp(arg[iarg],"sort") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify sort", error);
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if (strcmp(arg[iarg+1],"off") == 0) sort_flag = 0;
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if (strcmp(arg[iarg+1],"off") == 0) sort_flag = 0;
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else if (strcmp(arg[iarg+1],"id") == 0) {
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else if (strcmp(arg[iarg+1],"id") == 0) {
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sort_flag = 1;
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sort_flag = 1;
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@ -1265,7 +1265,7 @@ void Dump::modify_params(int narg, char **arg)
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sort_flag = 1;
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sort_flag = 1;
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sortcol = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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sortcol = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
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sortorder = ASCEND;
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sortorder = ASCEND;
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if (sortcol == 0) error->all(FLERR,"Illegal dump_modify command");
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if (sortcol == 0) error->all(FLERR, "Invalid dump_modify sort argument: {}", sortcol);
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if (sortcol < 0) {
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if (sortcol < 0) {
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sortorder = DESCEND;
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sortorder = DESCEND;
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sortcol = -sortcol;
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sortcol = -sortcol;
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@ -1275,24 +1275,24 @@ void Dump::modify_params(int narg, char **arg)
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"balance") == 0) {
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} else if (strcmp(arg[iarg],"balance") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify blance", error);
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if (nprocs > 1)
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if (nprocs > 1)
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balance_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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balance_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"time") == 0) {
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} else if (strcmp(arg[iarg],"time") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify time", error);
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time_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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time_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"units") == 0) {
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} else if (strcmp(arg[iarg],"units") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
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if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify units", error);
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unit_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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unit_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
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iarg += 2;
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iarg += 2;
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} else {
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} else {
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int n = modify_param(narg-iarg,&arg[iarg]);
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int n = modify_param(narg-iarg,&arg[iarg]);
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if (n == 0) error->all(FLERR,"Illegal dump_modify command");
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if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
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iarg += n;
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iarg += n;
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}
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}
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}
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}
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@ -49,7 +49,7 @@ Velocity::Velocity(LAMMPS *lmp) : Command(lmp), rigid_fix(nullptr), temperature(
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void Velocity::command(int narg, char **arg)
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void Velocity::command(int narg, char **arg)
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{
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{
|
||||||
if (narg < 2) error->all(FLERR,"Illegal velocity command");
|
if (narg < 2) utils::missing_cmd_args(FLERR, "velocity", error);
|
||||||
|
|
||||||
if (domain->box_exist == 0)
|
if (domain->box_exist == 0)
|
||||||
error->all(FLERR,"Velocity command before simulation box is defined");
|
error->all(FLERR,"Velocity command before simulation box is defined");
|
||||||
@ -63,7 +63,7 @@ void Velocity::command(int narg, char **arg)
|
|||||||
// identify group
|
// identify group
|
||||||
|
|
||||||
igroup = group->find(arg[0]);
|
igroup = group->find(arg[0]);
|
||||||
if (igroup == -1) error->all(FLERR,"Could not find velocity group ID");
|
if (igroup == -1) error->all(FLERR, "Could not find velocity group ID {}", arg[0]);
|
||||||
groupbit = group->bitmask[igroup];
|
groupbit = group->bitmask[igroup];
|
||||||
|
|
||||||
// check if velocities of atoms in rigid bodies are updated
|
// check if velocities of atoms in rigid bodies are updated
|
||||||
@ -79,7 +79,7 @@ void Velocity::command(int narg, char **arg)
|
|||||||
else if (strcmp(arg[1],"scale") == 0) style = SCALE;
|
else if (strcmp(arg[1],"scale") == 0) style = SCALE;
|
||||||
else if (strcmp(arg[1],"ramp") == 0) style = RAMP;
|
else if (strcmp(arg[1],"ramp") == 0) style = RAMP;
|
||||||
else if (strcmp(arg[1],"zero") == 0) style = ZERO;
|
else if (strcmp(arg[1],"zero") == 0) style = ZERO;
|
||||||
else error->all(FLERR,"Illegal velocity command");
|
else error->all(FLERR,"Unknown velocity keyword: {}", arg[1]);
|
||||||
|
|
||||||
// set defaults
|
// set defaults
|
||||||
|
|
||||||
@ -163,7 +163,7 @@ void Velocity::create(double t_desired, int seed)
|
|||||||
int i;
|
int i;
|
||||||
double **vhold;
|
double **vhold;
|
||||||
|
|
||||||
if (seed <= 0) error->all(FLERR,"Illegal velocity create command");
|
if (seed <= 0) error->all(FLERR, "Illegal velocity create seed argument: {}", seed);
|
||||||
|
|
||||||
// if sum_flag set, store a copy of current velocities
|
// if sum_flag set, store a copy of current velocities
|
||||||
|
|
||||||
@ -816,58 +816,58 @@ void Velocity::zero_rotation()
|
|||||||
|
|
||||||
void Velocity::options(int narg, char **arg)
|
void Velocity::options(int narg, char **arg)
|
||||||
{
|
{
|
||||||
if (narg < 0) error->all(FLERR,"Illegal velocity command");
|
if (narg < 0) utils::missing_cmd_args(FLERR, "velocity", error);
|
||||||
|
|
||||||
int iarg = 0;
|
int iarg = 0;
|
||||||
while (iarg < narg) {
|
while (iarg < narg) {
|
||||||
if (strcmp(arg[iarg],"dist") == 0) {
|
if (strcmp(arg[iarg],"dist") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity dist", error);
|
||||||
if (strcmp(arg[iarg+1],"uniform") == 0) dist_flag = UNIFORM;
|
if (strcmp(arg[iarg+1],"uniform") == 0) dist_flag = UNIFORM;
|
||||||
else if (strcmp(arg[iarg+1],"gaussian") == 0) dist_flag = GAUSSIAN;
|
else if (strcmp(arg[iarg+1],"gaussian") == 0) dist_flag = GAUSSIAN;
|
||||||
else error->all(FLERR,"Illegal velocity command");
|
else error->all(FLERR,"Unknown velocity dist argument: {}", arg[iarg+1]);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"sum") == 0) {
|
} else if (strcmp(arg[iarg],"sum") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity sum", error);
|
||||||
sum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
sum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"mom") == 0) {
|
} else if (strcmp(arg[iarg],"mom") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity mom", error);
|
||||||
momentum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
momentum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"rot") == 0) {
|
} else if (strcmp(arg[iarg],"rot") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity rot", error);
|
||||||
rotation_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
rotation_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"temp") == 0) {
|
} else if (strcmp(arg[iarg],"temp") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity temp", error);
|
||||||
temperature = modify->get_compute_by_id(arg[iarg+1]);
|
temperature = modify->get_compute_by_id(arg[iarg+1]);
|
||||||
if (!temperature) error->all(FLERR,"Could not find velocity temperature compute ID");
|
if (!temperature) error->all(FLERR,"Could not find velocity temperature compute ID: {}", arg[iarg+1]);
|
||||||
if (temperature->tempflag == 0)
|
if (temperature->tempflag == 0)
|
||||||
error->all(FLERR,"Velocity temperature compute {} does not compute temperature", arg[iarg+1]);
|
error->all(FLERR,"Velocity temperature compute {} does not compute temperature", arg[iarg+1]);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"bias") == 0) {
|
} else if (strcmp(arg[iarg],"bias") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity bias", error);
|
||||||
bias_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
bias_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"loop") == 0) {
|
} else if (strcmp(arg[iarg],"loop") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity loop", error);
|
||||||
if (strcmp(arg[iarg+1],"all") == 0) loop_flag = ALL;
|
if (strcmp(arg[iarg+1],"all") == 0) loop_flag = ALL;
|
||||||
else if (strcmp(arg[iarg+1],"local") == 0) loop_flag = LOCAL;
|
else if (strcmp(arg[iarg+1],"local") == 0) loop_flag = LOCAL;
|
||||||
else if (strcmp(arg[iarg+1],"geom") == 0) loop_flag = GEOM;
|
else if (strcmp(arg[iarg+1],"geom") == 0) loop_flag = GEOM;
|
||||||
else error->all(FLERR,"Illegal velocity command");
|
else error->all(FLERR,"Unknown velocity loop argument: {}", arg[iarg+1]);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"rigid") == 0) {
|
} else if (strcmp(arg[iarg],"rigid") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity rigid", error);
|
||||||
rigid_fix = modify->get_fix_by_id(arg[iarg+1]);
|
rigid_fix = modify->get_fix_by_id(arg[iarg+1]);
|
||||||
if (!rigid_fix) error->all(FLERR,"Fix ID {} for velocity does not exist", arg[iarg+1]);
|
if (!rigid_fix) error->all(FLERR,"Fix ID {} for velocity does not exist", arg[iarg+1]);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else if (strcmp(arg[iarg],"units") == 0) {
|
} else if (strcmp(arg[iarg],"units") == 0) {
|
||||||
if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
|
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity units", error);
|
||||||
if (strcmp(arg[iarg+1],"box") == 0) scale_flag = 0;
|
if (strcmp(arg[iarg+1],"box") == 0) scale_flag = 0;
|
||||||
else if (strcmp(arg[iarg+1],"lattice") == 0) scale_flag = 1;
|
else if (strcmp(arg[iarg+1],"lattice") == 0) scale_flag = 1;
|
||||||
else error->all(FLERR,"Illegal velocity command");
|
else error->all(FLERR,"Unknown velocity units argument: {}", arg[iarg+1]);
|
||||||
iarg += 2;
|
iarg += 2;
|
||||||
} else error->all(FLERR,"Illegal velocity command");
|
} else error->all(FLERR,"Unknown velocity keyword: {}", arg[iarg]);
|
||||||
}
|
}
|
||||||
|
|
||||||
// error check
|
// error check
|
||||||
|
|||||||
Reference in New Issue
Block a user