diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index cd3ecf8ffa..e0aa9a628a 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -3378,7 +3378,7 @@ void PairAIREBO::read_file(char *filename) break; default: - error->one(FLERR, fmt::format("Unknown REBO style variant %d",variant).c_str()); + error->one(FLERR, fmt::format("Unknown REBO style variant %d",variant)); } PotentialFileReader reader(lmp, filename, potential_name); @@ -3390,7 +3390,7 @@ void PairAIREBO::read_file(char *filename) char * line = reader.next_line(); if (std::string(line).find(header) == std::string::npos) { - error->one(FLERR,fmt::format("Potential file does not match AIREBO/REBO style variant: {}: {}", header, line).c_str()); + error->one(FLERR, fmt::format("Potential file does not match AIREBO/REBO style variant: {}: {}", header, line)); } // skip remaining comments diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 730c184a43..0d552caebc 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -29,6 +29,7 @@ #include "utils.h" #include "tokenizer.h" #include "potential_file_reader.h" +#include "fmt/format.h" using namespace LAMMPS_NS; @@ -1059,9 +1060,7 @@ EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS * lmp, const std::string & FILE * fp = force->open_potential(filename.c_str()); if (fp == NULL) { - char str[128]; - snprintf(str, 128, "cannot open EIM potential file %s", filename.c_str()); - error->one(FLERR, str); + error->one(FLERR, fmt::format("cannot open EIM potential file {}", filename)); } parse(fp); diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index 66ac30df2c..ffee4335c7 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -380,7 +380,7 @@ void BondTable::read_table(Table *tb, char *file, char *keyword) if (ferror) { std::string str = fmt::format("%d of %d force values in table are inconsistent with -dE/dr.\n" " Should only be flagged at inflection points",ferror,tb->ninput); - error->warning(FLERR,str.c_str()); + error->warning(FLERR, str); } // warn if data was read incompletely, e.g. columns were missing diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp index 7875560ee6..9fd3679106 100644 --- a/src/USER-MISC/dihedral_table.cpp +++ b/src/USER-MISC/dihedral_table.cpp @@ -832,13 +832,13 @@ void DihedralTable::coeff(int narg, char **arg) string err_msg; err_msg = string("Invalid dihedral table length (") + string(arg[2]) + string(")."); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } else if ((tb->ninput == 2) && (tabstyle == SPLINE)) { string err_msg; err_msg = string("Invalid dihedral spline table length. (Try linear)\n (") + string(arg[2]) + string(")."); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } // check for monotonicity @@ -851,7 +851,7 @@ void DihedralTable::coeff(int narg, char **arg) string(arg[2]) + string(", ")+i_str.str()+string("th entry)"); if (i==0) err_msg += string("\n(This is probably a mistake with your table format.)\n"); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } @@ -863,7 +863,7 @@ void DihedralTable::coeff(int narg, char **arg) string err_msg; err_msg = string("Dihedral table angle range must be < 360 degrees (") +string(arg[2]) + string(")."); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } else { @@ -871,7 +871,7 @@ void DihedralTable::coeff(int narg, char **arg) string err_msg; err_msg = string("Dihedral table angle range must be < 2*PI radians (") + string(arg[2]) + string(")."); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } @@ -1214,7 +1214,7 @@ void DihedralTable::spline_table(Table *tb) if ((num_disagreements > tb->ninput/2) && (num_disagreements > 2)) { string msg("Dihedral table has inconsistent forces and energies. (Try \"NOF\".)\n"); - error->all(FLERR,msg.c_str()); + error->all(FLERR, msg); } } // check for consistency if (! tb->f_unspecified) @@ -1344,7 +1344,7 @@ void DihedralTable::param_extract(Table *tb, char *line) //} else { string err_msg = fmt::format("Invalid keyword in dihedral angle table parameters ({})", word); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } } } catch (TokenizerException & e) { diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp index 194c25f536..e2283633bc 100644 --- a/src/USER-MISC/dihedral_table_cut.cpp +++ b/src/USER-MISC/dihedral_table_cut.cpp @@ -824,13 +824,13 @@ void DihedralTableCut::coeff(int narg, char **arg) string err_msg; err_msg = string("Invalid dihedral table length (") + string(arg[5]) + string(")."); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } else if ((tb->ninput == 2) && (tabstyle == SPLINE)) { string err_msg; err_msg = string("Invalid dihedral spline table length. (Try linear)\n (") + string(arg[5]) + string(")."); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } // check for monotonicity @@ -843,7 +843,7 @@ void DihedralTableCut::coeff(int narg, char **arg) string(arg[5]) + string(", ")+i_str.str()+string("th entry)"); if (i==0) err_msg += string("\n(This is probably a mistake with your table format.)\n"); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } @@ -855,7 +855,7 @@ void DihedralTableCut::coeff(int narg, char **arg) string err_msg; err_msg = string("Dihedral table angle range must be < 360 degrees (") +string(arg[5]) + string(")."); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } else { @@ -863,7 +863,7 @@ void DihedralTableCut::coeff(int narg, char **arg) string err_msg; err_msg = string("Dihedral table angle range must be < 2*PI radians (") + string(arg[5]) + string(")."); - error->all(FLERR,err_msg.c_str()); + error->all(FLERR,err_msg); } } @@ -1081,7 +1081,7 @@ void DihedralTableCut::read_table(Table *tb, char *file, char *keyword) FILE *fp = force->open_potential(file); if (fp == NULL) { string err_msg = string("Cannot open file ") + string(file); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR,err_msg); } // loop until section found with matching keyword @@ -1090,7 +1090,7 @@ void DihedralTableCut::read_table(Table *tb, char *file, char *keyword) if (fgets(line,MAXLINE,fp) == NULL) { string err_msg=string("Did not find keyword \"") +string(keyword)+string("\" in dihedral table file."); - error->one(FLERR, err_msg.c_str()); + error->one(FLERR, err_msg); } if (strspn(line," \t\n\r") == strlen(line)) continue; // blank line if (line[0] == '#') continue; // comment @@ -1376,7 +1376,7 @@ void DihedralTableCut::param_extract(Table *tb, char *line) else { string err_msg("Invalid keyword in dihedral angle table parameters"); err_msg += string(" (") + string(word) + string(")"); - error->one(FLERR,err_msg.c_str()); + error->one(FLERR, err_msg); } word = strtok(NULL," \t\n\r\f"); } diff --git a/src/utils.cpp b/src/utils.cpp index ec2f6b12a4..a8dc4e308e 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -156,7 +156,7 @@ void utils::sfgets(const char *srcname, int srcline, char *s, int size, errmsg += filename; errmsg += "'"; - if (error) error->one(srcname,srcline,errmsg.c_str()); + if (error) error->one(srcname,srcline,errmsg); if (s) *s = '\0'; // truncate string to empty in case error is NULL } return; @@ -185,7 +185,7 @@ void utils::sfread(const char *srcname, int srcline, void *s, size_t size, errmsg += filename; errmsg += "'"; - if (error) error->one(srcname,srcline,errmsg.c_str()); + if (error) error->one(srcname,srcline,errmsg); } return; } @@ -239,9 +239,9 @@ double utils::numeric(const char *file, int line, const char *str, msg += str; msg += "' in input script or data file"; if (do_abort) - lmp->error->one(file,line,msg.c_str()); + lmp->error->one(file,line,msg); else - lmp->error->all(file,line,msg.c_str()); + lmp->error->all(file,line,msg); } return atof(str); @@ -274,9 +274,9 @@ int utils::inumeric(const char *file, int line, const char *str, msg += str; msg += "' in input script or data file"; if (do_abort) - lmp->error->one(file,line,msg.c_str()); + lmp->error->one(file,line,msg); else - lmp->error->all(file,line,msg.c_str()); + lmp->error->all(file,line,msg); } return atoi(str); @@ -309,9 +309,9 @@ bigint utils::bnumeric(const char *file, int line, const char *str, msg += str; msg += "' in input script or data file"; if (do_abort) - lmp->error->one(file,line,msg.c_str()); + lmp->error->one(file,line,msg); else - lmp->error->all(file,line,msg.c_str()); + lmp->error->all(file,line,msg); } return ATOBIGINT(str); @@ -344,9 +344,9 @@ tagint utils::tnumeric(const char *file, int line, const char *str, msg += str; msg += "' in input script or data file"; if (do_abort) - lmp->error->one(file,line,msg.c_str()); + lmp->error->one(file,line,msg); else - lmp->error->all(file,line,msg.c_str()); + lmp->error->all(file,line,msg); } return ATOTAGINT(str);