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Merge pull request #4380 from rbberger/python_computes

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Python and library API changes for computes
This commit is contained in:
Axel Kohlmeyer
2025-01-30 14:21:25 -05:00
committed by GitHub
parent 75b33ac436 2b0a6419b7
commit 48893236ec
14 changed files with 426 additions and 1 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(variable_info);
ADDSYM(eval);
ADDSYM(clearstep_compute);
ADDSYM(addstep_compute);
ADDSYM(addstep_compute_all);
ADDSYM(gather_atoms);
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 (*variable_info)(void *, int, char *, int);
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_concat)(void *, const char *, int, int, void *);