avoiding variable length array in pair style comb3 by declaring MAXLIB const (d53dc541) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_comb3.cpp

+20 −20

Original line number	Diff line number	Diff line
		@@ -310,10 +310,10 @@ double PairComb3::init_one(int i, int j)

		void PairComb3::read_lib()
		{
		unsigned int maxlib = 1024;
		const unsigned int MAXLIB = 1024;
		int i,j,k,l,nwords,m;
		int ii,jj,kk,ll,mm,iii;
		char s[maxlib];
		char s[MAXLIB];
		char *words = new char[80];

		// open libraray file on proc 0
		@@ -327,8 +327,8 @@ void PairComb3::read_lib()
		}

		// read and store at the same time
		fgets(s,maxlib,fp);
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -339,7 +339,7 @@ void PairComb3::read_lib()
		ccutoff[4] = atof(words[4]);
		ccutoff[5] = atof(words[5]);

		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -351,7 +351,7 @@ void PairComb3::read_lib()
		ch_a[5] = atof(words[5]);
		ch_a[6] = atof(words[6]);

		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -359,7 +359,7 @@ void PairComb3::read_lib()
		nsplrad = atoi(words[1]);
		nspltor = atoi(words[2]);

		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -367,7 +367,7 @@ void PairComb3::read_lib()
		maxy = atoi(words[1]);
		maxz = atoi(words[2]);

		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -376,7 +376,7 @@ void PairComb3::read_lib()
		maxconj = atoi(words[2]);

		for (l=0; l<nsplpcn; l++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -385,14 +385,14 @@ void PairComb3::read_lib()
		dvmaxxcn[l] = atof(words[3]);
		}

		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		ntab = atoi(words[0]);

		for (i=0; i<ntab+1; i++){
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -405,7 +405,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxx+1; i++)
		for (j=0; j<maxy+1; j++)
		for (k=0; k<maxz+1; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -423,7 +423,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxx; i++)
		for (j=0; j<maxy; j++)
		for (k=0; k<maxz; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -432,7 +432,7 @@ void PairComb3::read_lib()
		jj = atoi(words[2]);
		kk = atoi(words[3]);
		for(iii=0; iii<2; iii++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -447,7 +447,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxxc+1; i++)
		for (j=0; j<maxyc+1; j++)
		for (k=0; k<maxconj; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -465,7 +465,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxxc; i++)
		for (j=0; j<maxyc; j++)
		for (k=0; k<maxconj-1; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -474,7 +474,7 @@ void PairComb3::read_lib()
		jj = atoi(words[2]);
		kk = atoi(words[3])-1;
		for (iii=0; iii<2; iii++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -489,7 +489,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxxc+1; i++)
		for (j=0; j<maxyc+1; j++)
		for (k=0; k<maxconj; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -507,7 +507,7 @@ void PairComb3::read_lib()
		for (i=0; i<maxxc; i++)
		for (j=0; j<maxyc; j++)
		for (k=0; k<maxconj-1; k++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;
		@@ -516,7 +516,7 @@ void PairComb3::read_lib()
		jj = atoi(words[2]);
		kk = atoi(words[3])-1;
		for(iii=0; iii<2; iii++) {
		fgets(s,maxlib,fp);
		fgets(s,MAXLIB,fp);
		nwords = 0;
		words[nwords++] = strtok(s," \t\n\r\f");
		while ((words[nwords++] = strtok(NULL," \t\n\r\f")))continue;

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