error our when Fix:set_molecule() is called with unsupported fixes

also add example input for using fix rigid/small with fix deposit
This commit is contained in:
Axel Kohlmeyer
2021-03-30 11:10:59 -04:00
parent 57ad6d50f4
commit 71dbf43e09
9 changed files with 516 additions and 4 deletions

View File

@ -174,6 +174,12 @@ void Fix::modify_params(int narg, char **arg)
}
}
void::Fix::set_molecule(int, tagint, int, double *, double *, double *)
{
error->all(FLERR,fmt::format("Molecule update not implemented for "
"fix {}", style));
}
/* ----------------------------------------------------------------------
setup for peratom energy and global/peratom virial computation
see integrate::ev_set() for values of eflag (0-3) and vflag (0-6)