(03869e47) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_tersoff.cpp

+3 −4

Original line number	Diff line number	Diff line
		@@ -47,8 +47,7 @@ PairTersoff::PairTersoff(LAMMPS *lmp) : Pair(lmp)

		nelements = 0;
		elements = NULL;
		nparams = 0;
		maxparam = 0;
		nparams = maxparam = 0;
		params = NULL;
		elem2param = NULL;
		}
		@@ -364,9 +363,9 @@ void PairTersoff::read_file(char *file)
		int params_per_line = 17;
		char *words = new char[params_per_line+1];

		if (params) delete [] params;
		if (params) memory->sfree(params);
		params = NULL;
		nparams = 0;
		nparams = maxparam = 0;

		// open file on proc 0

+1 −1

Original line number	Diff line number	Diff line
		@@ -524,7 +524,7 @@ void Input::echo()

		void Input::ifthenelse()
		{
		if (narg < 4) error->all("Illegal if command");
		if (narg < 3) error->all("Illegal if command");

		// substitute for variables in Boolean expression for "if"
		// in case expression was enclosed in quotes

+3 −3

Original line number	Diff line number	Diff line
		@@ -3163,13 +3163,13 @@ double Variable::evaluate_boolean(char *str)
		// number: push value onto stack
		// ----------------

		} else if (isdigit(onechar) \|\| onechar == '.') {
		} else if (isdigit(onechar) \|\| onechar == '.' \|\| onechar == '-') {
		if (expect == OP) error->all("Invalid Boolean syntax in if command");
		expect = OP;

		// istop = end of number, including scientific notation

		int istart = i;
		int istart = i++;
		while (isdigit(str[i]) \|\| str[i] == '.') i++;
		if (str[i] == 'e' \|\| str[i] == 'E') {
		i++;