hop
Fast endpoint-state helpers for KMC hops.
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class kmcpy.event.hop.HopStateLookup(mobile_state_by_site, vacancy_state_by_site)[source]
Precomputed mobile/vacancy state codes for each active site.
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annotate_event(event)[source]
Attach hot-loop state codes to an event in compact active-site space.
- Return type:
None
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annotate_event_lib(event_lib)[source]
Attach precomputed state codes to every event in an event library.
- Return type:
None
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classmethod from_active_site_order(active_site_order, mobile_ion_specie)[source]
Build site-indexed state-code arrays from active-site metadata.
- Return type:
HopStateLookup
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kmcpy.event.hop.endpoint_direction_from_codes(from_occ, to_occ, codes)[source]
Return direction from endpoint states and precomputed hop state codes.
- Return type:
int
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kmcpy.event.hop.event_direction(occupations, event)[source]
Return +1, -1, or 0 using only endpoint integer state comparisons.
- Return type:
int