Slot: number_of_atoms
Number of atoms in the simulation cell or supercell.
URI: coremeta4cat:number_of_atoms Alias: number_of_atoms
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| MolecularDynamics | Molecular dynamics simulation — a method for computing the time evolution of a system of interacting particles by integrating the equations of motion. Used to study diffusion, reaction kinetics, and thermal properties. |
no |
Properties
-
Range: Integer
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:number_of_atoms |
| native | coremeta4cat:number_of_atoms |
LinkML Source
name: number_of_atoms
description: Number of atoms in the simulation cell or supercell.
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:number_of_atoms
alias: number_of_atoms
domain_of:
- MolecularDynamics
range: integer
multivalued: true