编程

Chatmosp Input Coordinator

它能做什么

Entry skill of the chatMOSP system. Parses Chinese/English natural language input, recognizes three task types (MSR / KMC / parameter query), extracts metal, temperature, gas, partial pressure, steps, and size parameters, then dispatches parameter-builder, file-organizer, msr-generator, and kmc-simulator to complete the calculation. Triggers: user requests to run MSR or KMC, queries or adjusts parameters, or describes a metal catalysis system (Pd, Pt, Au, CO oxidation, water-gas shift, etc.).

技能文档

Language routing / 语言路由 Detect the user's language from the latest message.

If the user writes in English, continue with this English file and respond in English.

If the user writes in Chinese, read SKILL.md in this same directory and respond in Chinese. Always match the response language to the user's input language.

chatmosp-input-coordinator

1. Core Responsibilities

Multilingual intent understanding — parse Chinese/English natural language input
Task recognition — identify MSR / KMC / parameter-query task types
Parameter extraction — extract metal, temperature, gas, partial pressure, steps, size
Skill dispatch — chain parameter-builder → file-organizer → calculation engine
Dialogue management — confirmation, clarification, error handling

2. Task Type Recognition

Three supported task types:

Type	Meaning	Typical keywords
MSR	Metal cluster structure generation	cluster, structure, morphology, nanoparticle, MSR
KMC	Kinetic Monte Carlo simulation	kinetic, simulation, TOF, steps, KMC, Monte Carlo
Parameter query	View or adjust parameters	parameter documentation, show parameters, parameter setting

This ClawHub main test release supports only the legacy six-skill workflow above. If the user requests EKMC, slab KMC, Stepwise EKMC, server submission, or job monitoring, state that this main test release does not support those newer features and do not route to non-existent skills.

Confidence threshold: 0.70. Below threshold → actively ask user for clarification.

3. Parameter Extraction

3.1 Required parameters

Parameter	Recognition rules
Metal element	Pd / Pt / Au / Cu / Ni (Chinese & English names)
Temperature	Supports °C and K, auto-converts to K
Pressure	Pa / kPa / MPa / atm
Gas species	CO / O₂ / H₂ / N₂ / CO₂ / NO

3.2 Advanced parameters

Gas partial pressure: CO9 (CO pp = 9%), O18 (O₂ pp = 18%); multiple gases joined with _: CO9_O18
Cluster size: R50 (50 Å), R20 (default 20 Å)
Simulation steps: 200000000steps, 1e6 steps, one million steps

3.3 Extraction examples

User input	Extracted
Pd 在 CO 氧化环境下 200 摄氏度结构	metal=Pd, T=473K, gases=[CO, O₂]
Pt structure under CO oxidation at 400 Celsius	metal=Pt, T=673K, gases=[CO]
Run Pd MSR with CO9_O18 partial pressure at 473K, cluster size R50	metal=Pd, T=473K, pp={CO:9,O₂:18}, R=50

4. Skill Dispatch

4.1 Routing table

MSR task        → parameter-builder → file-organizer → msr-generator
KMC task        → parameter-builder → file-organizer → kmc-simulator
Parameter query → parameter-builder

4.2 Cross-skill handoff (MUST follow)

MSR → KMC: After MSR completes, it produces ini.xyz. For KMC, kmc-simulator independently fetches the full KMC parameter set (nspecies, s1/s2, p1, e1-e7, li) from MOSP_database. Do NOT reuse MSR's input.json. See kmc-simulator.
Parameter modification: If user changes temperature, parameter-builder MUST recalculate gas entropy per §7.5.
Missing parameters: If key parameters (E_ads, w, gamma) are missing, parameter-builder calls literature-search to fill the gap (open-access journals prioritized). See literature-search.
Visualization: After MSR completes, msr-generator runs utils/paint.py to produce PNG + GIF. See msr-generator.
Wine environment: KMC tasks are checked and managed by kmc-simulator. See kmc-simulator.

4.3 Error handling

Situation	Action
Missing parameters	Prompt user, suggest reasonable defaults
Task ambiguity	Offer 2–3 candidate scenarios
EKMC/slab/Stepwise/server requested	Explain that this main test release does not support that feature
Skill failure	Suggest retry or degradation
Low confidence	Actively clarify intent
Directory exists	Ask before overwriting

5. Interaction

5.1 Task confirmation

After task recognition, MUST confirm with user. Display templates are defined in parameter-builder's "MSR / KMC parameter display format" section.

5.2 Clarification triggers

Vague temperature: "high temperature" → ask for specific value
Unknown gas ratio: CO oxidation needs CO+O₂ → ask for partial pressures
Unclear unit: "pressure" → ask Pa / kPa / atm
Unspecified metal/gas: list available options for the current task

6. Dependencies

chatmosp-parameter-builder — parameter completion + gas entropy calculation
chatmosp-file-organizer — directory structure creation
chatmosp-msr-generator — MSR calculation
chatmosp-kmc-simulator — KMC simulation
chatmosp-literature-search — literature search (when parameters missing)

7. File structure

chatmosp-input-coordinator/
├── SKILL.md       # Chinese reference
└── SKILL_cn.md    # This file (English)

ChatMOSP Companion Skills

This skill is part of the ChatMOSP skill set. For complete functionality, install the companion ChatMOSP skills from ClawHub when they are missing:

chatmosp-input-coordinator
chatmosp-parameter-builder
chatmosp-msr-generator
chatmosp-kmc-simulator
chatmosp-literature-search
chatmosp-file-organizer

If a required companion skill is unavailable, ask the user to install the missing ChatMOSP skill from ClawHub before continuing. Use the GitHub repository only as a fallback.

Chatmosp Parameter Builder

Parameter building and management center of the chatMOSP system. Handles MSR / KMC parameter queries, intelligent completion, gas entropy calculation, MSR↔KMC interaction parameter conversion, and missing-parameter handling. Triggers: after input-coordinator identifies a task but before the calculat

1 次安装

Chatmosp Kmc Simulator

KMC (Kinetic Monte Carlo) simulation engine of the chatMOSP system. Invokes kmc_standalone.py via Wine to run the Windows main.exe engine, executes catalyst surface reaction kinetic simulations, and produces TOF / coverage results.

1 次安装

Chatmosp File Organizer

File system manager of the chatMOSP system. Handles MSR / KMC task directory creation, intelligent naming (in `metal_gas-pp_T_K_P_Pa_R_size` format), and secure file operations (path-traversal protection, whitelist restriction). Triggers: after parameter-builder confirms parameters and before calcul

2 次安装

Chatmosp Msr Generator

MSR (Multiscale Structure Reconstruction) calculation engine of the chatMOSP system. Invokes mosp-for-chatMOSP/utils/msr.py to generate metal cluster structures (Wulff construction), producing ini.xyz and {task_name}_cluster.xyz, then automatically generates PNG structure images and GIF rotation ani

2 次安装

Chatmosp Literature Search

Academic literature searcher of the chatMOSP system. When MOSP_database lacks matching parameters, searches open-access journals (Nature Communications, Science Advances, PNAS, etc.) and other academic resources to extract MSR/KMC parameters.

Catalyst Search

Catalysis literature search skill. Given a user-provided catalyst topic, reaction type, or material system, retrieve and organize relevant catalysis research papers from the open web (ScienceDirect, arXiv, OpenAlex, Google Scholar, etc.) and output structured literature-review information (literatur

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它能做什么

技能文档

chatmosp-input-coordinator

1. Core Responsibilities

2. Task Type Recognition

3. Parameter Extraction

3.1 Required parameters

3.2 Advanced parameters

3.3 Extraction examples

4. Skill Dispatch

4.1 Routing table

4.2 Cross-skill handoff (MUST follow)

4.3 Error handling

5. Interaction

5.1 Task confirmation

5.2 Clarification triggers

6. Dependencies

7. File structure

ChatMOSP Companion Skills

相关技能

Chatmosp Parameter Builder

Chatmosp Kmc Simulator

Chatmosp File Organizer

Chatmosp Msr Generator

Chatmosp Literature Search

Catalyst Search