Update PairComb and PairComb3 (477a7125) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_comb.cpp

+7 −7

Original line number	Diff line number	Diff line
		@@ -583,7 +583,7 @@ double PairComb::init_one(int i, int j)
		void PairComb::read_file(char *file)
		{
		memory->sfree(params);
		params = NULL;
		params = nullptr;
		nparams = 0;
		maxparam = 0;

		@@ -596,9 +596,9 @@ void PairComb::read_file(char *file)
		try {
		ValueTokenizer values(line," \t\n\r\f");

		std::string iword = values.next_string();
		std::string jword = values.next_string();
		std::string kword = values.next_string();
		std::string iname = values.next_string();
		std::string jname = values.next_string();
		std::string kname = values.next_string();

		// ielement,jelement,kelement = 1st args
		// if all 3 args are in element list, then parse this line
		@@ -606,13 +606,13 @@ void PairComb::read_file(char *file)
		int ielement, jelement, kelement;

		for (ielement = 0; ielement < nelements; ielement++)
		if (iword == elements[ielement]) break;
		if (iname == elements[ielement]) break;
		if (ielement == nelements) continue;
		for (jelement = 0; jelement < nelements; jelement++)
		if (jword == elements[jelement]) break;
		if (jname == elements[jelement]) break;
		if (jelement == nelements) continue;
		for (kelement = 0; kelement < nelements; kelement++)
		if (kword == elements[kelement]) break;
		if (kname == elements[kelement]) break;
		if (kelement == nelements) continue;

		// load up parameter settings and error check their values

+322 −379

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