Tutorials

Each tutorial is meant to be worked through, in order, at a keyboard. They state a goal and prerequisites up front, show real output at every step, and close with what you learned.

• T1 — A complete local run
• T2 — The config file in depth
• T3 — Offloading a stage to a remote machine
• T4 — Watching a run with monitor
• T5 — Starting mid-funnel
• T6 — Higher-fidelity calculation with DFTB+

The progression

	Tutorial	You end up able to
T1	A complete local run	Run the whole funnel and read every outcome, including rejections
T2	The config file in depth	Change a run’s scope, cost and destination deliberately
T3	Offloading a stage	Run the expensive stage on another machine over SSH or SLURM
T4	Watching a run	Read the live dashboard and follow named materials
T5	Starting mid-funnel	Advance an existing workspace, and read what a stage refuses
T6	Calculating with DFTB+	Add the optional higher-fidelity stage through your own AiiDA

Start with Getting started if you have not installed MatMelt yet — T1 assumes a working install and a scientific stack.

About the examples

The outputs on these pages are captured from real runs, not written from memory, and the commands and config keys are checked against the code by the test suite — a renamed option or a dropped flag fails a test before it can mislead a reader.

Two pages are partial exceptions and say so where it matters. T3 needs two machines, and T6 needs a working DFTB+ installation behind AiiDA; both draw their end-to-end results from recorded runs on our own hardware. Everything else, including T6’s doctor output, was captured while writing.