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ufsowa / mcdif

Monte Carlo based alghoritms used to simulate thermodynamic and kinetic properties of the alloys
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shift_vacancy #28

Closed ufsowa closed 8 years ago

ufsowa commented 8 years ago

When frames are shifeted, update_events to vacancies. :facepunch:

Vacancies stay out of sim_area. But no update events is done. :facepunch:

vacancy control sum need to be fixed :facepunch:

ufsowa commented 8 years ago

lattice::update_events() clear events list in site::site and mc::EVENTS when site is out of sim_area :facepunch:

ufsowa commented 8 years ago

mc::Vatoms - print vacancies

ufsowa commented 8 years ago

OK. It works. :+1: Need optimisation.

ufsowa commented 8 years ago

opcja::check_rez_dN()

iterate over rez's and check if size is changed. If changed then move_frame()

It does not need to be in opcja::find_mig_path() opcja::check_rez_dN() executed after dislocation_path(). Count every single dislocation movement.

:facepunch:

:facepunch: But it should be sensible for flux comming from atoms jumps in RTA

init_events had to be reorganised; set_atom_list reorganised; refresh_sim_area; refresh_vac_list reorganised;