start of clean up

This commit is contained in:
Tom Swinburne
2020-04-17 18:11:59 +02:00
parent 6904e1e6ef
commit 0ea2eabbb2
11 changed files with 383 additions and 1437 deletions

View File

@ -831,6 +831,17 @@ void lammps_gather_atoms(void *ptr, char *name,
int natoms = static_cast<int> (lmp->atom->natoms);
void *vptr = lmp->atom->extract(name);
// look for property/atom if NULL
/*int vector_index, vector_type=type;
if (vptr == NULL) {
vector_index = lmp->atom->find_custom(name, vector_type);
if(vector_index>=0 && vector_type == type) {
if(type==0) vptr = (void *) lmp->atom->ivector[vector_index];
else vptr = (void *) lmp->atom->dvector[vector_index];
}
}*/
if (vptr == NULL) {
lmp->error->warning(FLERR,"lammps_gather_atoms: unknown property name");
return;