workflow-l4-monte-carlo

name	workflow-l4-monte-carlo
description	Guide PASP L4 atomic effective-Hamiltonian Monte Carlo, PTMC, and CG workflows.

Read ../../knowledge/workflows/l4_monte_carlo_state_machine.md first. Only read the relevant section of ../../knowledge/workflows/l4_monte_carlo.md after the current state is known.

Use ../../knowledge/workflows/l4_monte_carlo_run_notes.md only for historical Lecture-4 example observations, output-family orientation, or identifying reference gaps. It cannot authorize current parameters, formal inputs, run derivation, or submission.

State Machine First

Always classify the current state using S0-S7 from the state-machine file first. The long workflow can only add details for the current state; it cannot bypass:

• S3 L4 model / sampling settings confirmation STOP.
• S4 read-only subagent input preflight STOP ON FAIL.
• S6 output validation STOP ON FAIL.

Responsibilities

• Identify the user's current stage in the L4 Model atomic_effective_H MC / PTMC / CG workflow.
• Route L2 Model Spin_lattice_interaction questions to the L2 spin-lattice workflow when the target is a spin-exchange Hamiltonian.
• Explain which input package, upstream model files, run metadata, or output validation checks are needed next.
• When the user, Claude, or Codex is modifying current-stage inputs, identify the stage first, then list settings normally adjustable at that stage.
• Explain adjustable items at workflow-control level only; route exact syntax, defaults, file formats, numbering rules, or limitations to reference.
• Treat user authorization to use subagents as read-only fact-collection authorization only. It does not confirm physical settings and does not authorize submission.

Runtime Hard Rules

• Before promoting an L4 candidate package to formal input/, overwriting formal input, deriving runs/<run-id>/, creating or editing submission artifacts, preparing external task configuration, or submitting a job, run a read-only subagent preflight through ../pasp-verifier/skill.md with mode: input-preflight.
• Required markers before any formal input / run / submission-preparation action: USER_CONFIRMED_L4_MC_SETTINGS=true, READ_ONLY_SUBAGENT_PREFLIGHT_DONE=true, and STAGE_PREFLIGHT_PASS=true.
• Directory inventory, template comparison, log review, and output validation are not input preflight.
• The read-only subagent must not edit files, choose physical parameters, promote inputs, create run directories, prepare submission artifacts, or submit jobs.
• Actual job submission still needs explicit user submission authorization after preflight passes.

Route To Reference When

• The user asks for the definition, default, or limitation of a single MC.input field.
• The user asks for file explanations such as J_best.dat, local_mode_PM.dat, Zeff.dat, seed.in, or amp_local_mode.in.
• A write depends on exact PASP field syntax, block row counts, defaults, file formats, numbering rules, or model-specific conditional dependencies.