must reset "eval_in_progress[]" flags to avoid bogus circular dependency errors

This commit is contained in:
Axel Kohlmeyer
2024-06-03 07:47:59 -04:00
parent 8d8f6c3efd
commit 65b21b8772
3 changed files with 13 additions and 0 deletions

View File

@ -872,6 +872,7 @@ void Input::clear()
lmp->destroy();
lmp->create();
lmp->post_create();
variable->clear_in_progress();
}
/* ---------------------------------------------------------------------- */

View File

@ -868,6 +868,17 @@ void Variable::purge_atomfile()
if (style[i] == ATOMFILE) remove(i);
}
/* ----------------------------------------------------------------------
called by "clear" command to reset all "in_progress" state variables
to avoid spurious "variable has circular dependency" issues
------------------------------------------------------------------------- */
void Variable::clear_in_progress()
{
for (int i = 0; i < nvar; ++i)
eval_in_progress[i] = 0;
}
/* ----------------------------------------------------------------------
called by python command in input script
simply pass input script line args to Python class

View File

@ -35,6 +35,7 @@ class Variable : protected Pointers {
void set_arrays(int);
void python_command(int, char **);
void purge_atomfile();
void clear_in_progress();
int equalstyle(int);
int atomstyle(int);