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ms_gui_prepare_remote_castep_batch

Prepares CASTEP geometry-optimization jobs for remote submission, staging each structure and spin task with its own settings document and job control entry for independent convergence tracking.

Instructions

Prepare independent native CASTEP geometry-optimization jobs or compatibility Script Job drivers. The default native_castep mode stages one XSD plus one CASTEP settings document per structure/spin task for separate submission from the CASTEP Calculation dialog, giving each calculation its own CASTEP Job Control entry and native convergence graphs.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
tasksYes
batchNameNoremote_castep_batch
commonSettingsNo
submissionModeNonative_castep
stopGuiLoopAfterPrepareNo

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observedv0.2.0-hardened.1

TDQS

B3/5.0
Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

With no annotations, the description carries the burden. It explains the default native_castep mode and the staging process, but omits details about the submissionMode other modes, the effect of stopGuiLoopAfterPrepare, and potential side effects or prerequisites.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is two sentences and front-loaded with the core purpose. The second sentence adds relevant detail about the default mode but could be slightly tighter; still efficient overall.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness2/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the tool's complexity (5 params, nested objects, no output schema), the description fails to cover parameters and return behavior. Important context like what happens after preparation or the output format is missing, making it incomplete for reliable invocation.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters1/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 0%; the description does not explain any of the five parameters (tasks, batchName, commonSettings, submissionMode, stopGuiLoopAfterPrepare), leaving the agent without semantic guidance beyond the schema.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool prepares native CASTEP geometry-optimization jobs or script drivers, specifying two modes and how the default mode stages documents per task. It distinguishes itself from sibling tools like ms_castep and ms_gui_castep_current by focusing on batch preparation.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

No explicit guidance on when to use this tool versus alternatives (e.g., ms_castep, ms_remote_castep_record_submission). The description mentions two modes but does not explain when to choose one over the other or provide context for decision-making.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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