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library: add API for compute clearstep and addstep

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This commit is contained in:
Richard Berger
2024-11-12 13:43:22 -07:00
parent 0fa1255cc3
commit 83a73ba0b9
3 changed files with 112 additions and 0 deletions
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9
src/library.h
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@ -190,6 +190,15 @@ int lammps_set_string_variable(void *handle, const char *name, const char *str);
int lammps_set_internal_variable(void *handle, const char *name, double value);
int lammps_variable_info(void *handle, int idx, char *buf, int bufsize);
void lammps_compute_clearstep(void * handle);
#if defined(LAMMPS_SMALLSMALL)
void lammps_compute_addstep_all(void * handle, int nextstep);
void lammps_compute_addstep(void * handle, int nextstep);
#else
void lammps_compute_addstep_all(void * handle, int64_t nextstep);
void lammps_compute_addstep(void * handle, int64_t nextstep);
#endif
/* ----------------------------------------------------------------------
* Library functions for scatter/gather operations of data
* ---------------------------------------------------------------------- */