PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
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General class that stores ALL the predefined events in the system. You can consider this as the Predefined Catalog of Events. More...
#include <event_list.h>
Private Member Functions | |
void | deletePredefinedDepositionsFromMap () |
void | deletePredefinedDiffusionsFromMap () |
void | deletePredefinedBondFormsFromMap () |
void | clearBondsMaxMap () |
void | deletePredefinedBondBreaksFromMap () |
void | deletePredefinedMonoatomicDesorptionsFromMap () |
PredefinedEventsCatalog () | |
~PredefinedEventsCatalog () | |
Private Attributes | |
INT_SET | bond_breaks_set |
Set of ints (representing bond types). More... | |
TYPE2REACTION_MAP | bond_breaks_map |
Mapping breaking bond types to corresponding predefined bond break event. More... | |
PAIR_SET | bond_forms_set |
Set of bond formable pair of ints (representing types of atoms). More... | |
PAIR2BONDFORM_MAP | bond_forms_map |
Mapping pair of ints to corresponding predefined bond formation event. More... | |
INT2INT_MAP | bonds_max |
Limiting the maximum number of bonds per atom type. More... | |
INT2INTSMAP_MAP | bondtypes_max |
This can be used if you want to limit the number of specific bonds that an atom type can form. This is a map to a map of ints. You give this map an int (atom type) and it returns a map. You give the returned map another int (bond type) and it returns the max number of bond types. More... | |
INT_SET | diffusions_set |
Set of diffusable types. More... | |
TYPE2DIFFUSION_MAP | diffusions_map |
Mapping diffusable type to corresponding diffusion event. More... | |
INT_SET | depositions_set |
Set of atom types (ints) that can be parents to deposition events. More... | |
TYPE2DEPOSITION_MAP | depositions_map |
Mapping atom type to corresponding deposition event. More... | |
INT_SET | monodes_set |
Set of atom types (ints) that can be parents to monoatomic desorption events. More... | |
TYPE2MONODES_MAP | monodes_map |
Mapping atom type to corresponding desorption event. More... | |
Friends | |
class | PaprecaConfig |
General class that stores ALL the predefined events in the system. You can consider this as the Predefined Catalog of Events.
Notice that in many cases we use a set and a map, even though the map/set keys are identical. We do that to search on sets but retrieve values from the map. This is faster than iterating a map and getting mapped values from the map. The drawback is that it requires a little bit more RAM (as you store the same key in a set AND a map).
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Mapping breaking bond types to corresponding predefined bond break event.
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Set of ints (representing bond types).
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Mapping pair of ints to corresponding predefined bond formation event.
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Set of bond formable pair of ints (representing types of atoms).
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Limiting the maximum number of bonds per atom type.
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private |
This can be used if you want to limit the number of specific bonds that an atom type can form. This is a map to a map of ints. You give this map an int (atom type) and it returns a map. You give the returned map another int (bond type) and it returns the max number of bond types.
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Mapping atom type to corresponding deposition event.
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private |
Set of atom types (ints) that can be parents to deposition events.
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private |
Mapping diffusable type to corresponding diffusion event.
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private |
Set of diffusable types.
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private |
Mapping atom type to corresponding desorption event.
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Set of atom types (ints) that can be parents to monoatomic desorption events.