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Get started

  • Installation
  • First session
  • Workspace model
  • Data input and documents
  • Example inputs
  • Worked examples

Appearance

  • Atom colors, labels and materials
  • Bond display
  • Coordination polyhedra
  • Camera, projection and lighting

Edit structures

  • Select atoms and measure geometry
  • Move atoms
  • Rotate atoms
  • Scale atom spacing
  • Add, copy and delete atoms
  • Build atomic and molecular distributions
  • Insertion regions
  • Insert molecules and set density
  • Constraints and their visual guides
  • Relax structures

Cells and interfaces

  • Unit cells, PBC and supercells
  • Commensurate cells and layer matching
  • Registry maps and rigid translation

Analysis and fields

  • Play and inspect trajectories
  • Displacement and force vectors
  • Color atoms by a scalar property
  • Radial and finite pair distributions
  • Import and process scalar fields
  • Volumetric isosurfaces
  • Volumetric planes

Save and export

  • Render images
  • Save projects and share HTML
  • Export trajectory videos
  • Export structures and 3D scenes

AI and scripting

  • Connect ChatGPT to your local v_ase
  • AI-agent integration
  • Scene inspection and MCP workflows
  • Python API
  • Command-line reference
  • Notebooks and remote systems

Reference

  • Visualizer Shortcuts & Controls
  • Supported formats
  • Troubleshooting
  • Scientific validation
  • GUI or SKILL+MCP? A visual comparison
  • Public API
  • Development
    • Architecture And Feature Contracts
    • Current Implementation Contract
    • Rendering Performance
    • Scientific validation
    • Numerical audit of the current source
    • Cell-Aware Rotation And Commensurate Angle Guide
    • Commensurate Cell Scientific Validation
    • Contributing documentation
    • Release Checklist
  • What is new in 0.3.6
v_ase
  • Development
  • Edit on GitHub

Development

Architecture, scientific validation, performance notes, documentation policy, and the release contract for contributors and maintainers.

  • Architecture And Feature Contracts
  • Current Implementation Contract
  • Rendering Performance
  • Scientific validation
  • Numerical audit of the current source
  • Cell-Aware Rotation And Commensurate Angle Guide
  • Commensurate Cell Scientific Validation
  • Contributing documentation
  • Release Checklist

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