agentic-md-for-dummies v0.2.0
Three reproductions, two integrators, two extension flows, two paths
into the framework — one for AI agents and one for human developers.
Highlights:
- Third reproduction: Pedersen, Schroder, Dyre PRL 120, 165501 (2018) Kob-Andersen
binary LJ. Structural g_AA / g_AB peaks match the analytic sigma_pq * 2^(1/6)
targets within ~5%; thermostat fidelity within 1% of T_target across three
state points on the rho=1.2 isochore. - Layer 1 directory-per-class refactor: forces/ and integrators/ packages
with single-source forwarding station at tools/registry.py and regression
tests that catch local/global registry drift. - New BAOAB Wiener-noise integrator (integrators/baoab_langevin.py) that
is fluctuation-dissipation-balanced and reduces algebraically to Velocity
Verlet at nu=0. Implemented entirely by an autonomous sub-agent walking
the new 9-step integrator extension flow. - Repository renamed from md-for-dummies to agentic-md-for-dummies, with
the rationale spelled out in the README's new "Two ways to use this repo"
section that documents both the AI-agent prompt patterns and the
human-developer hand-coded path through every extension surface. - Eight skill regression tests covering the contracts that hold the
architecture together. Sixty pytest passing in total.
Cross-session handoff document at
D:/code/pythonProjects/phySimu/forSimu/memory/v0.2.0-handoff.md.