(d3eb3d78) · Commits · 郑智淋 / lammps

src/read_data.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -339,7 +339,7 @@ void ReadData::header(int flag)
		if (strstr(line,"atoms")) sscanf(line,"%lu",&atom->natoms);
		else if (strstr(line,"bonds")) sscanf(line,"%lu",&atom->nbonds);
		else if (strstr(line,"angles")) sscanf(line,"%lu",&atom->nangles);
		else if (strstr(line,"dihedrals")) sscanf(line,"lu",&atom->ndihedrals);
		else if (strstr(line,"dihedrals")) sscanf(line,"%lu",&atom->ndihedrals);
		else if (strstr(line,"impropers")) sscanf(line,"%lu",&atom->nimpropers);

		else if (strstr(line,"atom types")) sscanf(line,"%d",&atom->ntypes);
		@@ -680,7 +680,7 @@ void ReadData::impropers()
		bigint nimpropers = atom->nimpropers;

		while (nread < nimpropers) {
		nchunk = MIN(nread,CHUNK);
		nchunk = MIN(nimpropers-nread,CHUNK);
		if (me == 0) {
		char *eof;
		m = 0;

+8 −8

Original line number	Diff line number	Diff line
		@@ -378,20 +378,20 @@ void Replicate::command(int narg, char **arg)

		if (me == 0) {
		if (atom->nbonds) {
		if (screen) fprintf(screen," %d bonds\n",atom->nbonds);
		if (logfile) fprintf(logfile," %d bonds\n",atom->nbonds);
		if (screen) fprintf(screen," %lu bonds\n",atom->nbonds);
		if (logfile) fprintf(logfile," %lu bonds\n",atom->nbonds);
		}
		if (atom->nangles) {
		if (screen) fprintf(screen," %d angles\n",atom->nangles);
		if (logfile) fprintf(logfile," %d angles\n",atom->nangles);
		if (screen) fprintf(screen," %lu angles\n",atom->nangles);
		if (logfile) fprintf(logfile," %lu angles\n",atom->nangles);
		}
		if (atom->ndihedrals) {
		if (screen) fprintf(screen," %d dihedrals\n",atom->ndihedrals);
		if (logfile) fprintf(logfile," %d dihedrals\n",atom->ndihedrals);
		if (screen) fprintf(screen," %lu dihedrals\n",atom->ndihedrals);
		if (logfile) fprintf(logfile," %lu dihedrals\n",atom->ndihedrals);
		}
		if (atom->nimpropers) {
		if (screen) fprintf(screen," %d impropers\n",atom->nimpropers);
		if (logfile) fprintf(logfile," %d impropers\n",atom->nimpropers);
		if (screen) fprintf(screen," %lu impropers\n",atom->nimpropers);
		if (logfile) fprintf(logfile," %lu impropers\n",atom->nimpropers);
		}
		}