Atomic adsorption and desorption

NeighborKMC.tutorials.A_ads.test.py

NeighborKMC.tutorials.A_ads.user_sites.py

Defines the Site Class derived from base.site.SiteBase.

The site class is defined here as an interface to the base class in base.site.SiteBase, where the user can add custom tags. Custom tags can be used to evaluate the rate-constants in user_events.py

See also

Module NeighborKMC.tutorials.A_ads.user_events

class NeighborKMC.tutorials.A_ads.user_sites.Site(stype=0, covered=0, ind=[], lattice_pos=None)

Bases: SiteBase

A site object.

Method calls the base class constructor first. Then the user can attach custom variables to site objects, such as coordination numbers, positions, etc.

stype

The site type, user must decide what that implies. Here: 0 refers to on top adsorption

Type:

int

covered

The species that covers the site, user must decide what the integer implies. Here: 0 = empty-site and 1 = A covered

Type:

int

ind

The atomic-indices c.f. an ASE.Atoms object that constitute the site. This is can be used later for visualization.

Type:

list(int)

See also

Module NeighborKMC.base.sites

NeighborKMC.tutorials.A_ads.user_events.py

NeighborKMC.tutorials.A_ads.user_kmc.py

NeighborKMC.tutorials.A_ads.user_system.py