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Terminology and Glossary

Page type: Reference
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TermMeaning in Tako
OperationThe requested computation, such as Single Point, Optimization, Phonon, XRD, or NEB
CalculatorThe configured object that supplies energies/forces/electronic properties to an operation
Calculator familyBroad implementation family, such as GFN2 or an MLIP
ModelThe specific selected parameter/weight asset and variant within a family
MethodThe scientific approximation and protocol being reported; includes more than a dropdown label
Runtime/backendThe browser/WASM/worker implementation that executes the calculator or operation
Structure tabOne independent active structure context; some UI/internal text may call it a project
LayerA subset or visualization overlay inside one structure tab
Calculation folderSaved input, settings, logs, results, and artifacts for one run
ArtifactA generated structure, trajectory, table, plot, spectrum, cube, or other output file
Tako ScriptJavaScript using the public tako.* API inside the browser workspace
AgentCodex-backed planner/coding agent that writes and runs Tako Script under user review
Calc toolsThe left toolbar mode that opens calculation setup dialogs
Calc resultsThe right-panel tab that displays calculation progress and result viewers
Evidence levelDemonstration, educational, screening, or validated — the claim strength a result can support

Naming conventions

  • UI labels and code identifiers appear exactly when instructing a click or API call: GFN2-xTB, dispersion: "d4", tako.optimize.
  • Prose uses the calculator family/variant in readable form: GFN2+D4, Nequix model.
  • “GFN2-xTB” is reserved for the published method definition; a dispersion-disabled Tako variant must be labeled explicitly.
  • “UV-Vis” names the scientific output; “sTDA” names Tako’s operation used to estimate it.
  • “Calc tools” and “Calc results” distinguish the two UI locations.