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propagate changes from library.cpp/library.h to swig and plugin interface

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This commit is contained in:
Axel Kohlmeyer
2025-04-25 17:04:32 -04:00
parent 1969c28e0c
commit d406289a7a
4 changed files with 109 additions and 38 deletions
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1
examples/COUPLE/plugin/liblammpsplugin.c
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@ -144,6 +144,7 @@ liblammpsplugin_t *liblammpsplugin_load(const char *lib)
ADDSYM(find_pair_neighlist);
ADDSYM(find_fix_neighlist);
ADDSYM(find_compute_neighlist);
ADDSYM(request_single_neighlist);
ADDSYM(neighlist_num_elements);
ADDSYM(neighlist_element_neighbors);

18
examples/COUPLE/plugin/liblammpsplugin.h
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@ -94,6 +94,17 @@ enum _LMP_VAR_CONST {
LMP_VAR_STRING = 3 /*!< return value will be a string (catch-all) */
};
/** Neighbor list settings constants
*
* Must be kept in sync with the equivalent constants in ``python/lammps/constants.py``,
* ``fortran/lammps.f90``, ``tools/swig/lammps.i``, and
* ``examples/COUPLE/plugin/liblammpsplugin.h`` */
enum _LMP_NEIGH_CONST {
LMP_NEIGH_HALF = 0, /*!< request (default) half neighbor list */
LMP_NEIGH_FULL = 1, /*!< request full neighbor list */
};
#ifdef __cplusplus
extern "C" {
#endif
@ -189,14 +200,17 @@ struct _liblammpsplugin {
* caller must match to how LAMMPS library is built */
#if !defined(LAMMPS_BIGBIG)
int (*create_atoms)(void *, int, int *, int *, double *, double *, int *, int);
int (*create_atoms)(void *, int, const int *, const int *, const double *, const double *,
const int *, int);
#else
int (*create_atoms)(void *, int, int64_t *, int *, double *, double *, int64_t *, int);
int (*create_atoms)(void *, int, const int64_t *, const int *, const double *, const double *,
const int64_t *, int);
#endif
int (*find_pair_neighlist)(void *, const char *, int, int, int);
int (*find_fix_neighlist)(void *, const char *, int);
int (*find_compute_neighlist)(void *, const char *, int);
int (*request_single_neighlist)(void *, const char *, int, double);
int (*neighlist_num_elements)(void *, int);
void (*neighlist_element_neighbors)(void *, int, int, int *, int *, int **);