Roadmap#

This roadmap tracks major themes planned for upcoming releases. Items move from “Planned” to “In Progress” as work starts, and then to “Shipped” after a release.

Shipped#

  • v1.1 – Volumetric export to VTK/Gaussian cube, expanded documentation, CLI option reference.

  • v1.0 – Configuration system overhaul, revised docs, PyVista plotter improvements.

  • v0.3 – CLI for interactive viewing of Molden files and bundled examples.

  • v0.2 – PyVista-based 3D plotter with Tkinter controls.

  • v0.1 – Initial parser and Python API.

Planned#

  • Support for cartesian basis functions – expand the parser and tabulator to accept cartesian (5D/9G) shells.

How to Influence the Roadmap#

  • Open a GitHub discussion or issue describing your workflow.

  • Vote on existing issues so we can prioritise the most impactful requests.

  • Contribute prototype implementations or documentation to accelerate features.