fix off-by-one errors in ndx_group (e057ae18) · Commits · 郑智淋 / lammps

src/USER-COLVARS/ndx_group.cpp

+7 −7

Original line number	Diff line number	Diff line
		@@ -126,7 +126,7 @@ void Ndx2Group::command(int narg, char **arg)
		}
		name = find_section(fp,NULL);
		if (name != NULL) {
		len=strlen(name);
		len=strlen(name)+1;

		// skip over group "all", which is called "System" in gromacs
		if (strcmp(name,"System") == 0) continue;
		@@ -152,8 +152,8 @@ void Ndx2Group::command(int narg, char **arg)
		MPI_Bcast(&len,1,MPI_INT,0,world);
		if (len > 0) {
		delete[] name;
		name = new char[len+1];
		MPI_Bcast(name,len+1,MPI_CHAR,0,world);
		name = new char[len];
		MPI_Bcast(name,len,MPI_CHAR,0,world);

		MPI_Bcast(&num,1,MPI_LMP_BIGINT,0,world);
		tags = (tagint )malloc(sizeof(tagint)(num ? num : 1));
		@@ -174,7 +174,7 @@ void Ndx2Group::command(int narg, char **arg)
		if (name != NULL) delete[] name;
		rewind(fp);
		name = find_section(fp,arg[idx]);
		if (name != NULL) len=strlen(name);
		if (name != NULL) len=strlen(name)+1;

		if (screen)
		fprintf(screen," %s group '%s'\n",
		@@ -185,7 +185,7 @@ void Ndx2Group::command(int narg, char **arg)

		MPI_Bcast(&len,1,MPI_INT,0,world);
		if (len > 0) {
		MPI_Bcast(name,len+1,MPI_CHAR,0,world);
		MPI_Bcast(name,len,MPI_CHAR,0,world);
		// read tags for atoms in group and broadcast
		num = 0;
		tags = read_section(fp,num);
		@@ -199,8 +199,8 @@ void Ndx2Group::command(int narg, char **arg)
		MPI_Bcast(&len,1,MPI_INT,0,world);
		if (len > 0) {
		delete[] name;
		name = new char[len+1];
		MPI_Bcast(name,len+1,MPI_CHAR,0,world);
		name = new char[len];
		MPI_Bcast(name,len,MPI_CHAR,0,world);

		MPI_Bcast(&num,1,MPI_LMP_BIGINT,0,world);
		tags = (tagint )malloc(sizeof(tagint)(num ? num : 1));

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