ICODE-ADC/lammps
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replace some numeric constants in Atom and AtomVec classes with enumerators

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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
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10
src/library.cpp
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@ -1273,7 +1273,7 @@ int lammps_create_atoms(void *handle, int n, tagint *id, int *type,
// if global map exists, reset it
// invoke map_init() b/c atom count has grown
if (lmp->atom->map_style) {
if (lmp->atom->map_style != Atom::MAP_NONE) {
lmp->atom->map_init();
lmp->atom->map_set();
}
@ -2252,7 +2252,7 @@ void lammps_scatter_atoms(void *handle, char *name,
if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0)
flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (lmp->atom->map_style == Atom::MAP_NONE) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter_atoms");
@ -2382,7 +2382,7 @@ void lammps_scatter_atoms_subset(void *handle, char *name,
int flag = 0;
if (lmp->atom->tag_enable == 0) flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (lmp->atom->map_style == Atom::MAP_NONE) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter_atoms_subset");
@ -3228,7 +3228,7 @@ void lammps_scatter(void *ptr, char *name,
if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0)
flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (lmp->atom->map_style == Atom::MAP_NONE) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter");
@ -3432,7 +3432,7 @@ void lammps_scatter_subset(void *ptr, char *name,
int flag = 0;
if (lmp->atom->tag_enable == 0) flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (lmp->atom->map_style == Atom::MAP_NONE) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter_atoms_subset");