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chore: enhance format for thinking token outputs
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agents/matmaster_agent/flow_agents/thinking_agent/prompt.py

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@@ -23,6 +23,8 @@ def get_static_system_block(available_tools_with_info: str) -> str:
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return f"""You are the Planning Engine. Your goal is to design a rigid, executable workflow based on the available tools.
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You must follow the Structured Reasoning Protocol below and output your reasoning inside the specified XML tags.
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**Format requirements:** Step name: bold (e.g. **Step 1**); Tool name: wrapped in backticks (e.g. `surface_cutting`). One line per step with proper indentation (end with end-of-line).
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<thinking_protocol>
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<phase_1_analysis>
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Deconstruct user intent into Input Data (Source) and Desired Output (Target).
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</Available Tools With Info>
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### VALIDATION CHECKLIST
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Ask, analysis, and answer [True/False] without hedging and assuming:
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1. **Prerequisites**: Does every step have its inputs satisfied by a *previous* step or *user input*?
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2. **Type Match**: Does the final step output what the user actually asked for?
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3. **Over-extension**: Did the plan invent steps the user didn't ask for (e.g., running a full simulation when asked for a tutorial)?

agents/matmaster_agent/sub_agents/tools.py

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'What it does: Generate input scripts for simulation/calculation engines. '
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'Supports: LAMMPS, ABACUS, VASP, QE (Quantum ESPRESSO), Psi4, Gaussian, ORCA.\n'
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'When to use: Create input from description.\n'
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'Prerequisites / Inputs: structural information; engine_type (one of: lammps, abacus, vasp, qe, psi4, gaussian, orca), natural language task.\n'
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'Prerequisites / Inputs: engine_type (one of: lammps, abacus, vasp, qe, psi4, gaussian, orca), natural language task.\n'
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'Outputs: Input script content.\n'
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'Cannot do / Limits: Script generation only.\n'
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'Cost / Notes: Low.'

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