Move NPARAMS_PER_LINE to parent classes (8329a549) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_comb.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -592,7 +592,7 @@ void PairComb::read_file(char *file)
		PotentialFileReader reader(lmp, file, "COMB");
		char * line;

		while(line = reader.next_line(Param::NPARAMS_PER_LINE)) {
		while(line = reader.next_line(NPARAMS_PER_LINE)) {
		try {
		ValueTokenizer values(line," \t\n\r\f");

+3 −2

Original line number	Diff line number	Diff line
		@@ -38,6 +38,9 @@ class PairComb : public Pair {
		virtual double yasu_char(double *, int &);
		double enegtot;

		static const int NPARAMS_PER_LINE = 49;

		protected:
		struct Param {
		double lam11,lam12,lam21,lam22;
		double c,d,h;
		@@ -56,10 +59,8 @@ class PairComb : public Pair {
		double coulcut, lcut, lcutsq, hfocor;
		int ielement,jelement,kelement;
		int powermint;
		static const int NPARAMS_PER_LINE = 49;
		};

		protected:
		double cutmax; // max cutoff for all elements
		int nelements; // # of unique elements
		char **elements; // names of unique elements

+1 −1

Original line number	Diff line number	Diff line
		@@ -591,7 +591,7 @@ void PairComb3::read_file(char *file)
		PotentialFileReader reader(lmp, file, "COMB3");
		char * line;

		while(line = reader.next_line(Param::NPARAMS_PER_LINE)) {
		while(line = reader.next_line(NPARAMS_PER_LINE)) {
		try {
		ValueTokenizer values(line, " \t\n\r\f");

+3 −3

Original line number	Diff line number	Diff line
		@@ -37,6 +37,9 @@ class PairComb3 : public Pair {
		virtual double combqeq(double *, int &);
		double enegtot;

		static const int NPARAMS_PER_LINE = 74;

		protected:
		// general potential parameters
		struct Param {
		int ielement,jelement,kelement,powermint;
		@@ -55,11 +58,8 @@ class PairComb3 : public Pair {
		double veps, vsig, pcna, pcnb, pcnc, pcnd, polz, curl, pcross;
		double paaa, pbbb;
		double curlcut1, curlcut2, curl0;
		static const int NPARAMS_PER_LINE = 74;
		};

		protected:

		// general setups
		int nelements; // # of unique elements
		int ***elem2param; // mapping from element triplets to parameters

+1 −1

Original line number	Diff line number	Diff line
		@@ -358,7 +358,7 @@ void PairSW::read_file(char *file)
		PotentialFileReader reader(lmp, file, "Stillinger-Weber");
		char * line;

		while(line = reader.next_line(Param::NPARAMS_PER_LINE)) {
		while(line = reader.next_line(NPARAMS_PER_LINE)) {
		try {
		ValueTokenizer values(line, " \t\n\r\f");