v_ase documentation
v_ase is a local, browser-based viewer, editor, and analysis workspace for Atomic Simulation Environment (ASE) structures, trajectories, and volumetric fields. It combines terminal and Python entry points with a direct 3D editor, scientific analysis, reproducible rendering, portable projects, and an exact semantic interface for external AI agents.
Current release
This manual describes v_ase 0.3.2. Behavior is documented from the source, live semantic schema, and regression suite in this release rather than from a future roadmap.
Start here
Install and open a structure:
python -m pip install v_ase-gui
v_ase gui POSCAR
Or launch from Python:
from ase.build import molecule
from v_ase import view
view(molecule("H2O"))
The default file workflow starts in lightweight View mode. Switch to
Edit when coordinates, topology, constraints, or relaxation must change.
Running v_ase gui without a file opens an empty editable document.
What v_ase covers
Area |
Included workflows |
|---|---|
Inspect |
Large structures, lazy trajectories, labels and ASE arrays, ordered measurements, supercell replicas |
Edit |
Exact move/rotate/scale, add atoms and molecules, ASE bulk building, copy/paste, constraints, undo/redo |
Analyze |
Displacement, stored forces, periodic RDF, finite pair distributions, registry maps and relaxation |
Fields |
VASP density/potential/ELF, Gaussian Cube and XSF, combinations, slices, isosurfaces, repetition |
Interfaces |
Local CLI, Python API, Jupyter display, one-command SSH remote use, multi-document workspaces |
Output |
Structures, |
Collaboration |
Revisioned semantic state and commands shared by the live GUI, terminal automation, and external AI agents |
Choose a path
Start with installation, a first session, and the workspace model.
Follow a task under Workflows to edit, analyze, style, or export.
Use Automation and APIs for Python, notebooks, CLI, remote, or AI work.
Open Reference for formats, shortcuts, troubleshooting, and development.