Remove more c_str() (a42a86c0) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_airebo.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -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

src/MANYBODY/pair_eim.cpp

+2 −3

Original line number	Diff line number	Diff line
		@@ -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);

src/MOLECULE/bond_table.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -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

src/USER-MISC/dihedral_table.cpp

+7 −7

Original line number	Diff line number	Diff line
		@@ -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) {

src/USER-MISC/dihedral_table_cut.cpp

+8 −8

Original line number	Diff line number	Diff line
		@@ -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");
		}

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