Merge pull request #2180 from akohlmey/atomvec-deallocate-fix (5291a461) · Commits · 郑智淋 / lammps

src/atom_vec.cpp

+43 −35

Original line number	Diff line number	Diff line
		@@ -33,6 +33,8 @@ using namespace MathConst;
		#define DELTA 16384
		#define DELTA_BONUS 8192

		int AtomVec::num_atom_vecs = 0;

		/* ---------------------------------------------------------------------- */

		AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
		@@ -54,6 +56,8 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)

		threads = NULL;

		++num_atom_vecs;

		// peratom variables auto-included in corresponding child style fields string
		// these fields cannot be specified in the fields string

		@@ -93,9 +97,12 @@ AtomVec::~AtomVec()
		int datatype,cols;
		void *pdata;

		--num_atom_vecs;

		for (int i = 0; i < nargcopy; i++) delete [] argcopy[i];
		delete [] argcopy;

		if (num_atom_vecs == 0) {
		memory->destroy(atom->tag);
		memory->destroy(atom->type);
		memory->destroy(atom->mask);
		@@ -134,6 +141,7 @@ AtomVec::~AtomVec()
		}
		}
		}
		}

		destroy_method(&mgrow);
		destroy_method(&mcopy);

+4 −0

Original line number	Diff line number	Diff line
		@@ -209,6 +209,10 @@ class AtomVec : protected Pointers {

		bool *threads;

		// counter for atom vec instances

		static int num_atom_vecs;

		// local methods

		void grow_nmax();