error exit when requested element is not in potential file (9cc0c8ba) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_agni.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -405,7 +405,8 @@ void PairAGNI::read_file(char *file)
		for (i = 0; i < nparams; ++i) {
		for (j = 0; j < nelements; ++j)
		if (strcmp(words[i+1],elements[j]) == 0) break;
		if (j == nelements) params[i].ielement = -1;
		if (j == nelements)
		error->all(FLERR,"No suitable parameters for requested element found");
		else params[i].ielement = j;
		}
		} else if (params && (nwords == 2) && (strcmp(words[0],"interaction") == 0)) {