fix wrong column size assignment bug when using optional arguments in some local computes (8820467a) · Commits · 郑智淋 / lammps

src/BODY/compute_body_local.cpp

+3 −2

Original line number	Diff line number	Diff line
		@@ -39,8 +39,6 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS lmp, int narg, char *arg) :

		local_flag = 1;
		nvalues = narg - 3;
		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		which = new int[nvalues];
		index = new int[nvalues];
		@@ -66,6 +64,9 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS lmp, int narg, char *arg) :
		error->all(FLERR,"Invalid index in compute body/local command");
		}

		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		nmax = 0;
		vector = NULL;
		array = NULL;

+4 −3

Original line number	Diff line number	Diff line
		@@ -40,8 +40,6 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS lmp, int narg, char *arg) :

		local_flag = 1;
		nvalues = narg - 4;
		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		int n = strlen(arg[3]) + 1;
		idrigid = new char[n];
		@@ -88,6 +86,9 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS lmp, int narg, char *arg) :
		else error->all(FLERR,"Invalid keyword in compute rigid/local command");
		}

		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		ncount = nmax = 0;
		vlocal = NULL;
		alocal = NULL;

+3 −3

Original line number	Diff line number	Diff line
		@@ -46,9 +46,6 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS lmp, int narg, char *arg) :

		local_flag = 1;
		nvalues = narg - 3;
		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		cflag = -1;
		nvalues = 0;

		@@ -57,6 +54,9 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS lmp, int narg, char *arg) :
		else error->all(FLERR,"Invalid keyword in compute improper/local command");
		}

		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		nmax = 0;
		vlocal = NULL;
		alocal = NULL;

+3 −3

Original line number	Diff line number	Diff line
		@@ -43,9 +43,6 @@ ComputePairLocal::ComputePairLocal(LAMMPS lmp, int narg, char *arg) :

		local_flag = 1;
		nvalues = narg - 3;
		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		pstyle = new int[nvalues];
		pindex = new int[nvalues];

		@@ -96,6 +93,9 @@ ComputePairLocal::ComputePairLocal(LAMMPS lmp, int narg, char *arg) :
		for (int i = 0; i < nvalues; i++)
		if (pstyle[i] != DIST) singleflag = 1;

		if (nvalues == 1) size_local_cols = 0;
		else size_local_cols = nvalues;

		nmax = 0;
		vlocal = NULL;
		alocal = NULL;