Sprint 1.0.0 – Planning & Schedule

[JFRudzinski]

Sprint 1.0.0 – Planning & Schedule

Goal:
Deliver core features and fixes required for the 1.0.0 milestone, preparing for public release and associated paper.

---

📅 Sprint Dates

• Kick-off: Fri, 15 Aug @ 14:30
• Sprint: Mon, 18 Aug – Fri, 22 Aug
• Daily Stand-up: 10:00 (Mon–Thu)
• Topic Discussions: Optional, up to 30 min immediately after stand-up for relevant people
• Sprint Review: Fri, 22 Aug @ 14:30

---

🏁 Objectives

• Finalize core schema modules:
  • Modelsystem (CG part, particle indices, is_representative, symmetry)
  • Model method (Spin, DFT, FF)
  • Outputs (Electronic eigenvalues, Magnetic properties)
  • Workflows (MD)
• Ensure parser integration with updated schema.
• Address 1.0.0 milestone technical issues.
• Assess and improve testing coverage for stable components

---

👥 Roles & Responsibilities

Person	Primary Focus	Support Roles
JFR	Modelsystem, CG, FF, MD workflows	Sprint Management
EBB	Spin/Magnetic properties, DFT, Eigenvalues	Global consistency checks
ND	Symmetry	DFT, Spin, Eigenvalues extension
MK	Assessment of core test suites	Parser integration (Exciting)
BM	Assessment of doc strings and consistency of terminology	Parser integration (Lammps/H5MD -- CG, FF, MD)
ANL	Technical issue management	nomad-parser-plugins-simulation updates

Everyone will act as either primary and secondary reviewers for PRs, set by the implementer and/or JFR.

---

🔄 Meeting Cadence

• Kick-off – Fri, 15 Aug @ 14:30
• Daily Stand-up – 10:00, 15 min, full team
• Post-Stand-up Topic Discussions – Optional, max 30 min, relevant people + one rotating outside person for cross-awareness
• Sprint Review – Fri, 22 Aug @ 14:30

---

💬 Potential Discussion Topics

Topic	Participants	Moderator	Day
Symmetry (Group Theory, PBC)	ND, EBB	MK	Mon
DFT – Core structure and extension	ND, EBB, MK	ANL	Tue
Modelsystem--particle indices, is_representative	ALL	BM	Wed
Spin / Magnetic properties	EBB, ND, MK	ANL	TBD
Electronic eigenvalues	EBB, ND	MK	TBD

Moderator is in charge of keeping the time (max 30 min) and balancing the input between participants.

📌 Links

• Project Board: View Board
• Milestone: 1.0.0 Issues

---

📝 Notes

• Ongoing tasks (e.g., parser integration) have meta-issues in the board.
• Tag uncertain/possibly outdated issues with needs-relevance-check.
• Discussion topics for the optional 30 min slots should be suggested below before stand-up each day.

[JFRudzinski]

Model System Discussion Agenda

• review of current methods: is_root_system, get_bond_list, get_symbols,
• nb: simple caching implemented for getters
• role of is_representative: clear separation in normalization
• ParticleState -> XXState usage: mapping parser + passing quantities
• renaming of AtomsState and OrbitalsState
• scope of enforcing tree integrity
• any other items?