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dummy implementation of single neighbor list build

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Axel Kohlmeyer
2025-04-22 16:02:51 -04:00
parent dbe98e2cfb
commit 9e9caf7d14
2 changed files with 49 additions and 0 deletions
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src/library.h
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@ -235,6 +235,7 @@ int lammps_create_atoms(void *handle, int n, const int64_t *id, const int *type,
int lammps_find_pair_neighlist(void *handle, const char *style, int exact, int nsub, int request);
int lammps_find_fix_neighlist(void *handle, const char *id, int request);
int lammps_find_compute_neighlist(void *handle, const char *id, int request);
int lammps_request_single_neighlist(void *handle, const char *id, int request, int flags, double cutoff);
int lammps_neighlist_num_elements(void *handle, int idx);
void lammps_neighlist_element_neighbors(void *handle, int idx, int element, int *iatom,
int *numneigh, int **neighbors);