ICODE-ADC/lammps
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improved some error messages in velocity.cpp and dump.cpp

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This commit is contained in:
Jiancheng Chen
2022-08-13 19:10:57 +08:00
parent 1fc9c31db5
commit d599a541b5
2 changed files with 50 additions and 50 deletions
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38
src/velocity.cpp
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@ -49,7 +49,7 @@ Velocity::Velocity(LAMMPS *lmp) : Command(lmp), rigid_fix(nullptr), temperature(
void Velocity::command(int narg, char **arg)
{
if (narg < 2) error->all(FLERR,"Illegal velocity command");
if (narg < 2) utils::missing_cmd_args(FLERR, "velocity", error);
if (domain->box_exist == 0)
error->all(FLERR,"Velocity command before simulation box is defined");
@ -63,7 +63,7 @@ void Velocity::command(int narg, char **arg)
// identify group
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];
// 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],"ramp") == 0) style = RAMP;
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
@ -163,7 +163,7 @@ void Velocity::create(double t_desired, int seed)
int i;
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
@ -816,58 +816,58 @@ void Velocity::zero_rotation()
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;
while (iarg < narg) {
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;
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;
} 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);
iarg += 2;
} 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);
iarg += 2;
} 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);
iarg += 2;
} 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]);
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)
error->all(FLERR,"Velocity temperature compute {} does not compute temperature", arg[iarg+1]);
iarg += 2;
} 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);
iarg += 2;
} 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;
else if (strcmp(arg[iarg+1],"local") == 0) loop_flag = LOCAL;
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;
} 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]);
if (!rigid_fix) error->all(FLERR,"Fix ID {} for velocity does not exist", arg[iarg+1]);
iarg += 2;
} 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;
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;
} else error->all(FLERR,"Illegal velocity command");
} else error->all(FLERR,"Unknown velocity keyword: {}", arg[iarg]);
}
// error check