work on docs

This commit is contained in:
Axel Kohlmeyer
2025-01-14 01:18:59 -05:00
parent 783d21c19b
commit e682f3d3e5
3 changed files with 35 additions and 5 deletions

View File

@ -13,6 +13,9 @@ fixes, or variables in LAMMPS using the following functions:
- :cpp:func:`lammps_set_internal_variable`
- :cpp:func:`lammps_variable_info`
- :cpp:func:`lammps_eval`
- :cpp:func:`lammps_compute_clearstep`
- :cpp:func:`lammps_compute_addstep_all`
- :cpp:func:`lammps_compute_addstep`
-----------------------
@ -61,6 +64,21 @@ fixes, or variables in LAMMPS using the following functions:
-----------------------
.. doxygenfunction:: lammps_compute_clearstep
:project: progguide
-----------------------
.. doxygenfunction:: lammps_compute_addstep_all(void *handle, int nextstep)
:project: progguide
-----------------------
.. doxygenfunction:: lammps_compute_addstep(void *handle, int nextstep)
:project: progguide
-----------------------
.. doxygenenum:: _LMP_DATATYPE_CONST
.. doxygenenum:: _LMP_STYLE_CONST

View File

@ -2973,6 +2973,10 @@ double lammps_eval(void *handle, const char *expr)
The invoked flag is used to avoid re-invoking same compute multiple times
and to flag computes that store invocation times as having been invoked
*See also*
:cpp:func:`lammps_compute_addstep_all`
:cpp:func:`lammps_compute_addstep`
\endverbatim
* \param handle pointer to a previously created LAMMPS instance cast to ``void *``.
@ -2995,6 +2999,10 @@ void lammps_compute_clearstep(void * handle) {
called when not sure what computes will be needed on newstep
do not loop only over n_timeflag, since may not be set yet
*See also*
:cpp:func:`lammps_compute_clearstep`
:cpp:func:`lammps_compute_addstep`
\endverbatim
* \param handle pointer to a previously created LAMMPS instance cast to ``void *``.
@ -3016,6 +3024,10 @@ void lammps_compute_addstep_all(void * handle, bigint newstep) {
if its invoked flag set on this timestep, schedule next invocation
called everywhere that computes are used, after computes are invoked
*See also*
:cpp:func:`lammps_compute_addstep_all`
:cpp:func:`lammps_compute_clearstep`
\endverbatim
* \param handle pointer to a previously created LAMMPS instance cast to ``void *``.

View File

@ -191,13 +191,13 @@ int lammps_set_internal_variable(void *handle, const char *name, double value);
int lammps_variable_info(void *handle, int idx, char *buf, int bufsize);
double lammps_eval(void *handle, const char *expr);
void lammps_compute_clearstep(void * handle);
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);
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);
void lammps_compute_addstep_all(void *handle, int64_t nextstep);
void lammps_compute_addstep(void *handle, int64_t nextstep);
#endif
/* ----------------------------------------------------------------------