materials-studio-mcp-moc

ms_prepare_castep_standalone_inputs

Prepare hash-bound, execution-blocked .cell/.param files for standalone CASTEP, enabling reproducible and auditable input preparation.

Instructions

Prepare hash-bound, execution-blocked .cell/.param files for standalone CASTEP.

Tool call template

Replace each placeholder with a value matching the input schema. Only required parameters are included; add optional parameters as needed.

{
  "id": 1,
  "jsonrpc": "2.0",
  "method": "tools/call",
  "params": {
    "arguments": {
      "input_xsd": "<input_xsd>",
      "input_sha256": "<input_sha256>",
      "output_directory": "<output_directory>",
      "calculation_name": "<calculation_name>",
      "standalone_context": "<standalone_context>"
    },
    "name": "ms_prepare_castep_standalone_inputs"
  }
}

Input Schema

Name	Required	Description	Default
`cores`	No
`dry_run`	No
`input_xsd`	Yes
`input_sha256`	Yes
`calculation_name`	Yes
`output_directory`	Yes
`standalone_context`	Yes

Output Schema

Name	Required	Description	Default
No arguments

Schema Changelog

Changes observed during successful MCP inspections.

First observedv0.1.0Aug 3, 2026

TDQS

B3.3/5.0

Behavior3/5

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

With no annotations, the description carries the full burden. It discloses useful behavior: outputs are 'hash-bound' and 'execution-blocked', which are non-trivial traits. However, it does not address side effects like file overwriting, permissions, or failure modes, leaving significant unknowns.

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

Conciseness5/5

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

The description is a single sentence that front-loads the core action and key constraints. It is concise with zero waste, making it easy to parse quickly.

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?

For a tool with 7 parameters, a nested object, and no annotations, this description is too sparse. It does not explain what 'hash-bound' or 'execution-blocked' mean in practice, what the expected output schema is, or how to structure the standalone_context. The output schema exists but cannot compensate for the lack of execution guidance.

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%, and the description does not mention any of the 7 parameters (e.g., input_xsd, input_sha256, standalone_context). The agent must rely solely on parameter names, which is insufficient for understanding nested structures like standalone_context.

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 uses the specific verb 'Prepare', names the output resource ('.cell/.param files'), and adds distinguishing attributes ('hash-bound', 'execution-blocked', 'standalone CASTEP'). This clearly differentiates it from sibling tools like ms_prepare_castep_pl_package.

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

Usage Guidelines3/5

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

The description implies when to use this tool (for preparing standalone CASTEP inputs), but it provides no explicit alternatives, exclusions, or prerequisites. It does not mention that other tools like ms_prepare_castep_pl_package might be used for pipeline packages instead.

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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