ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

replace some numeric constants in Atom and AtomVec classes with enumerators

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-09-11 18:44:13 -04:00
parent cdd9d693ad
commit 9d0c3bc665
202 changed files with 539 additions and 530 deletions
Download Patch File Download Diff File Expand all files Collapse all files

25
src/atom_map.cpp
View File

@ -44,15 +44,15 @@ void Atom::map_init(int check)
int recreate = 0;
if (check) recreate = map_style_set();
if (map_style == 1 && map_tag_max > map_maxarray) recreate = 1;
else if (map_style == 2 && nlocal+nghost > map_nhash) recreate = 1;
if (map_style == MAP_ARRAY && map_tag_max > map_maxarray) recreate = 1;
else if (map_style == MAP_HASH && nlocal+nghost > map_nhash) recreate = 1;
// if not recreating:
// for array, initialize current map_tag_max values
// for hash, set all buckets to empty, put all entries in free list
if (!recreate) {
if (map_style == 1) {
if (map_style == MAP_ARRAY) {
for (int i = 0; i <= map_tag_max; i++) map_array[i] = -1;
} else {
for (int i = 0; i < map_nbucket; i++) map_bucket[i] = -1;
@ -67,7 +67,7 @@ void Atom::map_init(int check)
} else {
map_delete();
if (map_style == 1) {
if (map_style == 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;
@ -114,7 +114,7 @@ void Atom::map_init(int check)
void Atom::map_clear()
{
if (map_style == 1) {
if (map_style == MAP_ARRAY) {
int nall = nlocal + nghost;
for (int i = 0; i < nall; i++) {
sametag[i] = -1;
@ -169,7 +169,7 @@ void Atom::map_set()
{
int nall = nlocal + nghost;
if (map_style == 1) {
if (map_style == MAP_ARRAY) {
// possible reallocation of sametag must come before loop over atoms
// since loop sets sametag
@ -247,7 +247,7 @@ void Atom::map_set()
void Atom::map_one(tagint global, int local)
{
if (map_style == 1) map_array[global] = local;
if (map_style == MAP_ARRAY) map_array[global] = local;
else {
// search for key
// if found it, just overwrite local value with index
@ -305,9 +305,12 @@ int Atom::map_style_set()
// else use array
int map_style_old = map_style;
if (map_user == 1 || map_user == 2) map_style = map_user;
else if (map_tag_max > 1000000 && !lmp->kokkos) map_style = 2;
else map_style = 1;
if (map_user == MAP_ARRAY || map_user == MAP_HASH) {
map_style = map_user;
} else { // map_user == MAP_YES
if (map_tag_max > 1000000 && !lmp->kokkos) map_style = MAP_HASH;
else map_style = MAP_ARRAY;
}
// recreate = 1 if must create new map b/c map_style changed
@ -326,7 +329,7 @@ void Atom::map_delete()
sametag = NULL;
max_same = 0;
if (map_style == 1) {
if (map_style == MAP_ARRAY) {
memory->destroy(map_array);
map_array = NULL;
} else {