MDEngine 0.7.1

MDEngine 0.7.1 — 2026-09-11

• Pricing by work: the app, CLI and MCP now read how the hosted tier prices jobs from the endpoint and show it before you submit — per-class prices per billion atom-steps, the per-job base, and the wall-limit cap that a job can never exceed; mdengine account and job status show the basis a job was billed on.
• The bundled ReaxFF iron-oxidation example keeps its oxygen in the box with a reflecting ceiling; at 600 K the gas reached the fixed top face, which lost atoms on the CPU and crashed the hosted GPU run with a CUDA fault.
• Preflight (mdengine capabilities <deck>, the app, MCP) now notes a deck with a non-periodic face and no wall fix before you submit it.
• Accelerated Runs: the pre-submit dialog lets you pick the GPU class and the wall limit, recomputes the spend cap for what you picked, and describes the billing the way the hosted tier actually does it.
• New analysis tool: Grain boundaries — grain count, sizes, boundary fraction and misorientation distribution from PTM orientations; colour by grain in the viewer.
• License: MDEngine is now released under the Business Source License 1.1 — use it freely, including at work; do not resell it as a hosted service; each version becomes MPL-2.0 four years after release. 0.7.0 and earlier stay MIT. -->

License: from this release MDEngine is under the Business Source License 1.1; 0.7.0 and earlier stay MIT.
Assets: MDEngine-0.7.1.dmg (notarized app), mdengine-tools-0.7.1-macos-arm64.tar.gz (CLI + MCP server), mdengine-mcp-0.7.1-macos-arm64.mcpb (MCP Bundle).