Merge pull request #2118 from akohlmey/pair-hybrid-better-check (8409e9d2) · Commits · 郑智淋 / lammps

src/pair_hybrid.cpp

+8 −2

Original line number	Diff line number	Diff line
		@@ -313,7 +313,7 @@ void PairHybrid::settings(int narg, char **arg)
		iarg = 0;
		nstyles = 0;
		while (iarg < narg) {
		if (strncmp(arg[iarg],"hybrid",6) == 0)
		if (utils::strmatch(arg[iarg],"^hybrid"))
		error->all(FLERR,"Pair style hybrid cannot have hybrid as an argument");
		if (strcmp(arg[iarg],"none") == 0)
		error->all(FLERR,"Pair style hybrid cannot have none as an argument");
		@@ -323,8 +323,14 @@ void PairHybrid::settings(int narg, char **arg)
		special_lj[nstyles] = special_coul[nstyles] = NULL;
		compute_tally[nstyles] = 1;

		// determine list of arguments for pair style settings
		// by looking for the next known pair style name.

		jarg = iarg + 1;
		while (jarg < narg && !force->pair_map->count(arg[jarg])) jarg++;
		while ((jarg < narg)
		&& !force->pair_map->count(arg[jarg])
		&& !lmp->match_style("pair",arg[jarg])) jarg++;

		styles[nstyles]->settings(jarg-iarg-1,&arg[iarg+1]);
		iarg = jarg;
		nstyles++;