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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master

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This commit is contained in:
Jacob Gissinger
2021-06-07 22:48:51 -04:00
parent 26fe17a379 d74d7cfd5f
commit b124de3484
4175 changed files with 127478 additions and 48418 deletions
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31
src/input.cpp
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@ -1,6 +1,7 @@
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://lammps.sandia.gov/, Sandia National Laboratories
https://www.lammps.org/, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
@ -271,7 +272,7 @@ void Input::file()
// execute the command
if (execute_command() && line)
error->all(FLERR,fmt::format("Unknown command: {}",line));
error->all(FLERR,"Unknown command: {}",line);
}
}
@ -303,8 +304,8 @@ void Input::file(const char *filename)
infile = fopen(filename,"r");
if (infile == nullptr)
error->one(FLERR,fmt::format("Cannot open input script {}: {}",
filename, utils::getsyserror()));
error->one(FLERR,"Cannot open input script {}: {}",
filename, utils::getsyserror());
infiles[nfile++] = infile;
}
@ -360,7 +361,7 @@ char *Input::one(const std::string &single)
// execute the command and return its name
if (execute_command())
error->all(FLERR,fmt::format("Unknown command: {}",line));
error->all(FLERR,"Unknown command: {}",line);
return command;
}
@ -614,8 +615,8 @@ void Input::substitute(char *&str, char *&str2, int &max, int &max2, int flag)
}
if (value == nullptr)
error->one(FLERR,fmt::format("Substitution for illegal "
"variable {}",var));
error->one(FLERR,"Substitution for illegal "
"variable {}",var);
// check if storage in str2 needs to be expanded
// re-initialize ptr and ptr2 to the point beyond the variable.
@ -1009,8 +1010,8 @@ void Input::include()
infile = fopen(arg[0],"r");
if (infile == nullptr)
error->one(FLERR,fmt::format("Cannot open input script {}: {}",
arg[0], utils::getsyserror()));
error->one(FLERR,"Cannot open input script {}: {}",
arg[0], utils::getsyserror());
infiles[nfile++] = infile;
}
@ -1043,8 +1044,8 @@ void Input::jump()
if (infile && infile != stdin) fclose(infile);
infile = fopen(arg[0],"r");
if (infile == nullptr)
error->one(FLERR,fmt::format("Cannot open input script {}: {}",
arg[0], utils::getsyserror()));
error->one(FLERR,"Cannot open input script {}: {}",
arg[0], utils::getsyserror());
infiles[nfile-1] = infile;
}
@ -1085,8 +1086,8 @@ void Input::log()
else logfile = fopen(arg[0],"w");
if (logfile == nullptr)
error->one(FLERR,fmt::format("Cannot open logfile {}: {}",
arg[0], utils::getsyserror()));
error->one(FLERR,"Cannot open logfile {}: {}",
arg[0], utils::getsyserror());
}
if (universe->nworlds == 1) universe->ulogfile = logfile;
@ -1161,8 +1162,8 @@ 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,fmt::format("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) {