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add plugin wrapper and swig interface to new LAMMPS library functions

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This commit is contained in:
Axel Kohlmeyer
2025-01-27 14:27:34 -05:00
parent 5d47c417ed
commit 23045d62c5
3 changed files with 12 additions and 0 deletions
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3
examples/COUPLE/plugin/liblammpsplugin.c
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@ -118,6 +118,9 @@ liblammpsplugin_t *liblammpsplugin_load(const char *lib)
ADDSYM(set_internal_variable); ADDSYM(set_internal_variable);
ADDSYM(variable_info); ADDSYM(variable_info);
ADDSYM(eval); ADDSYM(eval);
ADDSYM(clearstep_compute);
ADDSYM(addstep_compute);
ADDSYM(addstep_compute_all);
ADDSYM(gather_atoms); ADDSYM(gather_atoms);
ADDSYM(gather_atoms_concat); ADDSYM(gather_atoms_concat);

3
examples/COUPLE/plugin/liblammpsplugin.h
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@ -164,6 +164,9 @@ struct _liblammpsplugin {
int (*set_internal_variable)(void *, const char *, double); int (*set_internal_variable)(void *, const char *, double);
int (*variable_info)(void *, int, char *, int); int (*variable_info)(void *, int, char *, int);
double (*eval)(void *, const char *); double (*eval)(void *, const char *);
void (*clearstep_compute)(void *);
void (*addstep_compute)(void *, void *);
void (*addstep_compute_all)(void *, void *);
void (*gather_atoms)(void *, const char *, int, int, void *); void (*gather_atoms)(void *, const char *, int, int, void *);
void (*gather_atoms_concat)(void *, const char *, int, int, void *); void (*gather_atoms_concat)(void *, const char *, int, int, void *);

6
tools/swig/lammps.i
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@ -143,6 +143,9 @@ extern int lammps_set_string_variable(void *, const char *, const char *);
extern int lammps_set_internal_variable(void *, const char *, double); extern int lammps_set_internal_variable(void *, const char *, double);
extern int lammps_variable_info(void *handle, int idx, char *buf, int bufsize); extern int lammps_variable_info(void *handle, int idx, char *buf, int bufsize);
extern double lammps_eval(void *handle, const char *expr); extern double lammps_eval(void *handle, const char *expr);
extern void lammps_clearstep_compute(void *handle);
extern void lammps_addstep_compute(void *handle, void *nstep);
extern void lammps_addstep_compute_all(void *handle, void *nstep);
extern void lammps_gather_atoms(void *, char *, int, int, void *); extern void lammps_gather_atoms(void *, char *, int, int, void *);
extern void lammps_gather_atoms_concat(void *, char *, int, int, void *); extern void lammps_gather_atoms_concat(void *, char *, int, int, void *);
@ -336,6 +339,9 @@ extern int lammps_set_string_variable(void *, const char *, const char *);
extern int lammps_set_internal_variable(void *, const char *, double); extern int lammps_set_internal_variable(void *, const char *, double);
extern int lammps_variable_info(void *handle, int idx, char *buf, int bufsize); extern int lammps_variable_info(void *handle, int idx, char *buf, int bufsize);
extern double lammps_eval(void *handle, const char *expr); extern double lammps_eval(void *handle, const char *expr);
extern void lammps_clearstep_compute(void *handle);
extern void lammps_addstep_compute(void *handle, void *nstep);
extern void lammps_addstep_compute_all(void *handle, void *nstep);
extern void lammps_gather_atoms(void *, char *, int, int, void *); extern void lammps_gather_atoms(void *, char *, int, int, void *);
extern void lammps_gather_atoms_concat(void *, char *, int, int, void *); extern void lammps_gather_atoms_concat(void *, char *, int, int, void *);