Closed ufsowa closed 8 years ago
update_events
must be changed to count for nn atoms from sim_area.
Because during relaxation of rez
events changes.
if(vac_in_sim_area){
for(neighs){
```~~if(sim_area)~~```{
include all neighs
}
}
}else{
for(neighs){
**if(sim_area){**
include neighs from sim_area
}
}
}
set_atom_list
must add vac from rez to Vatoms.
Then, updat events will handle the rest.
opcja::TRANSPARENT was added
Move BOUNDARY to lattice. opcja in conf.in is executed before commands -OK.
lattice: 3846
Done with option turn on/off. L_SIM_B 2 1 1
Apply permeable boundary: Vacancy can leave sim_area (vac output). Atoms can leave sim_area (vac input).
In creating event list
EVENTS
inlucde events from vacancies in REZ which has neighbouring atom in sim_area.Given Vac must be in sim_area. So it is suggested to remove this criteria. :interrobang: if you want take events outside of sim_area.
:facepunch: : in
update_events
remove condition for neighbouring atom, that it must be insim_area
add method for vac in rez :information_source:
When creating EVENTS, it run over every VAC in the
Vatoms
list.But to build
Vatoms
set_atoms_list
is executed ONCE at the beginning of simulation.set_atoms_list
is repeated afteropcja::sim_are_refresh()
when layers were shifted.set_atoms_list
run over all sites in the system. Is very painfull, but no other options. Must check what site is vac.You need to modify
set_atoms_list
in that way, it will include vac which has in theirs neighbourhood atoms fromsim_area
. :facepunch: modifyset_atoms_list