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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11403 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-01-30 21:34:55 +00:00
parent 15a48a27b5
commit 19252df8ad
3 changed files with 8 additions and 8 deletions
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3
src/atom.cpp
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@ -162,6 +162,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
tag_enable = 1; tag_enable = 1;
map_style = map_user = 0; map_style = map_user = 0;
map_tag_max = 0; map_tag_max = 0;
map_maxarray = 0;
map_nhash = 0; map_nhash = 0;
max_same = 0; max_same = 0;
@ -1848,7 +1849,7 @@ bigint Atom::memory_usage()
bytes += max_same*sizeof(int); bytes += max_same*sizeof(int);
if (map_style == 1) if (map_style == 1)
bytes += memory->usage(map_array,max_array); bytes += memory->usage(map_array,map_maxarray);
else if (map_style == 2) { else if (map_style == 2) {
bytes += map_nbucket*sizeof(int); bytes += map_nbucket*sizeof(int);
bytes += map_nhash*sizeof(HashElem); bytes += map_nhash*sizeof(HashElem);

7
src/atom.h
View File

@ -241,9 +241,10 @@ class Atom : protected Pointers {
// global to local ID mapping // 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 tagint global; // key to search on = global ID
int local; // value associated with key = local index int local; // value associated with key = local index
int next; // next entry in this bucket, -1 if last 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 int *map_bucket; // ptr to 1st entry in each bucket
HashElem *map_hash; // hash table 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 int max_same; // allocated size of sametag
// spatial sorting of atoms // spatial sorting of atoms

6
src/atom_map.cpp
View File

@ -60,7 +60,7 @@ void Atom::map_init()
int recreate = 0; int recreate = 0;
if (map_style != map_style_old) recreate = 1; 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; else if (map_style == 2 && nlocal+nghost > map_nhash) recreate = 1;
// if not recreating: // if not recreating:
@ -84,8 +84,8 @@ void Atom::map_init()
map_delete(); map_delete();
if (map_style == 1) { if (map_style == 1) {
max_array = map_tag_max; map_maxarray = map_tag_max;
memory->create(map_array,max_array+1,"atom:map_array"); memory->create(map_array,map_maxarray+1,"atom:map_array");
for (int i = 0; i <= map_tag_max; i++) map_array[i] = -1; for (int i = 0; i <= map_tag_max; i++) map_array[i] = -1;
} else { } else {