(19252df8) · Commits · 郑智淋 / lammps

src/atom.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -162,6 +162,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
		tag_enable = 1;
		map_style = map_user = 0;
		map_tag_max = 0;
		map_maxarray = 0;
		map_nhash = 0;

		max_same = 0;
		@@ -1848,7 +1849,7 @@ bigint Atom::memory_usage()

		bytes += max_same*sizeof(int);
		if (map_style == 1)
		bytes += memory->usage(map_array,max_array);
		bytes += memory->usage(map_array,map_maxarray);
		else if (map_style == 2) {
		bytes += map_nbucket*sizeof(int);
		bytes += map_nhash*sizeof(HashElem);

+3 −4

Original line number	Diff line number	Diff line
		@@ -241,9 +241,10 @@ class Atom : protected Pointers {

		// global to local ID mapping

		int *map_array; // direct map of length map_tag_max + 1
		int *map_array; // direct map via array that holds map_tag_max
		int map_maxarray; // allocated size of map_array (1 larger than this)

		struct HashElem {
		struct HashElem { // hashed map
		tagint global; // key to search on = global ID
		int local; // value associated with key = local index
		int next; // next entry in this bucket, -1 if last
		@@ -255,8 +256,6 @@ class Atom : protected Pointers {
		int *map_bucket; // ptr to 1st entry in each bucket
		HashElem *map_hash; // hash table

		int max_array; // allocated size of map_array (+1)
		int max_nhash; // allocated size of hash table
		int max_same; // allocated size of sametag

		// spatial sorting of atoms

+3 −3

Original line number	Diff line number	Diff line
		@@ -60,7 +60,7 @@ void Atom::map_init()

		int recreate = 0;
		if (map_style != map_style_old) recreate = 1;
		else if (map_style == 1 && map_tag_max > max_array) recreate = 1;
		else if (map_style == 1 && map_tag_max > map_maxarray) recreate = 1;
		else if (map_style == 2 && nlocal+nghost > map_nhash) recreate = 1;

		// if not recreating:
		@@ -84,8 +84,8 @@ void Atom::map_init()
		map_delete();

		if (map_style == 1) {
		max_array = map_tag_max;
		memory->create(map_array,max_array+1,"atom:map_array");
		map_maxarray = map_tag_max;
		memory->create(map_array,map_maxarray+1,"atom:map_array");
		for (int i = 0; i <= map_tag_max; i++) map_array[i] = -1;

		} else {