add option to query Update::setupflag to see if thermo data is valid

This commit is contained in:
Axel Kohlmeyer
2023-08-15 01:03:25 -04:00
parent f0962f36f6
commit 8bfa0b2b04

View File

@ -773,6 +773,10 @@ argument string.
- Description of return value
- Data type
- Uses index
* - setup
- 1 if setup is not completed and thus thermo data invalid, 0 otherwise
- pointer to int
- no
* - step
- timestep when the last thermo output was generated or -1
- pointer to bigint
@ -811,7 +815,10 @@ void *lammps_last_thermo(void *handle, const char *what, int index)
BEGIN_CAPTURE
{
if (strcmp(what, "step") == 0) {
if (strcmp(what, "setup") == 0) {
val = (void *) &lmp->update->setupflag;
} else if (strcmp(what, "step") == 0) {
val = (void *) th->get_timestep();
} else if (strcmp(what, "num") == 0) {