make some more use of {fmt} in lammps.cpp (1930a8fd) · Commits · 郑智淋 / lammps

src/input.cpp

+6 −8

Original line number	Diff line number	Diff line
		@@ -50,6 +50,7 @@
		#include "error.h"
		#include "memory.h"
		#include "utils.h"
		#include "fmt/format.h"

		#ifdef _WIN32
		#include <direct.h>
		@@ -275,11 +276,11 @@ void Input::file(const char *filename)
		return command name to caller
		------------------------------------------------------------------------- */

		char Input::one(const char single)
		char *Input::one(const std::string &single)
		{
		int n = strlen(single) + 1;
		int n = single.size() + 1;
		if (n > maxline) reallocate(line,maxline,n);
		strcpy(line,single);
		strcpy(line,single.c_str());

		// echo the command unless scanning for label

		@@ -300,11 +301,8 @@ char Input::one(const char single)

		// execute the command and return its name

		if (execute_command()) {
		char *str = new char[maxline+32];
		sprintf(str,"Unknown command: %s",line);
		error->all(FLERR,str);
		}
		if (execute_command())
		error->all(FLERR,fmt::format("Unknown command: {}",line).c_str());

		return command;
		}

src/input.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -34,7 +34,7 @@ class Input : protected Pointers {
		~Input();
		void file(); // process all input
		void file(const char *); // process an input script
		char one(const char ); // process a single command
		char *one(const std::string&); // process a single command
		void substitute(char &, char &, int &, int &, int);
		// substitute for variables in a string
		int expand_args(int, char , int, char &); // expand args due to wildcard

src/lammps.cpp

+41 −48

Original line number	Diff line number	Diff line
		@@ -456,62 +456,55 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
		MPI_Comm_split(universe->uworld,universe->iworld,0,&world);
		MPI_Comm_rank(world,&me);

		if (me == 0)
		if (partscreenflag == 0)
		screen = logfile = infile = NULL;
		if (me == 0) {
		std::string str;
		if (partscreenflag == 0) {
		if (screenflag == 0) {
		char str[32];
		sprintf(str,"screen.%d",universe->iworld);
		screen = fopen(str,"w");
		str = fmt::format("screen.{}",universe->iworld);
		screen = fopen(str.c_str(),"w");
		if (screen == NULL) error->one(FLERR,"Cannot open screen file");
		} else if (strcmp(arg[screenflag],"none") == 0)
		} else if (strcmp(arg[screenflag],"none") == 0) {
		screen = NULL;
		else {
		char str[128];
		snprintf(str,128,"%s.%d",arg[screenflag],universe->iworld);
		screen = fopen(str,"w");
		} else {
		str = fmt::format("{}.{}",arg[screenflag],universe->iworld);
		screen = fopen(str.c_str(),"w");
		if (screen == NULL) error->one(FLERR,"Cannot open screen file");
		}
		else if (strcmp(arg[partscreenflag],"none") == 0)
		} else if (strcmp(arg[partscreenflag],"none") == 0) {
		screen = NULL;
		else {
		char str[128];
		snprintf(str,128,"%s.%d",arg[partscreenflag],universe->iworld);
		screen = fopen(str,"w");
		} else {
		str = fmt::format("{}.{}",arg[partscreenflag],universe->iworld);
		screen = fopen(str.c_str(),"w");
		if (screen == NULL) error->one(FLERR,"Cannot open screen file");
		} else screen = NULL;
		}

		if (me == 0)
		if (partlogflag == 0)
		if (partlogflag == 0) {
		if (logflag == 0) {
		char str[32];
		sprintf(str,"log.lammps.%d",universe->iworld);
		logfile = fopen(str,"w");
		str = fmt::format("log.lammps.{}",universe->iworld);
		logfile = fopen(str.c_str(),"w");
		if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
		} else if (strcmp(arg[logflag],"none") == 0)
		} else if (strcmp(arg[logflag],"none") == 0) {
		logfile = NULL;
		else {
		char str[128];
		snprintf(str,128,"%s.%d",arg[logflag],universe->iworld);
		logfile = fopen(str,"w");
		} else {
		str = fmt::format("{}.{}",arg[logflag],universe->iworld);
		logfile = fopen(str.c_str(),"w");
		if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
		}
		else if (strcmp(arg[partlogflag],"none") == 0)
		} else if (strcmp(arg[partlogflag],"none") == 0) {
		logfile = NULL;
		else {
		char str[128];
		snprintf(str,128,"%s.%d",arg[partlogflag],universe->iworld);
		logfile = fopen(str,"w");
		} else {
		str = fmt::format("{}.{}",arg[partlogflag],universe->iworld);
		logfile = fopen(str.c_str(),"w");
		if (logfile == NULL) error->one(FLERR,"Cannot open logfile");
		} else logfile = NULL;
		}

		if (me == 0) {
		infile = fopen(arg[inflag],"r");
		if (infile == NULL) {
		char str[128];
		snprintf(str,128,"Cannot open input script %s",arg[inflag]);
		error->one(FLERR,str);
		str = fmt::format("Cannot open input script {}",arg[inflag]);
		error->one(FLERR,str.c_str());
		}
		}
		} else infile = NULL;

		// screen and logfile messages for universe and world

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