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ms_gui_forcite_optimize_current

Queue a Forcite geometry optimization on the current GUI document with manual-like folder layout, controlling cores, quality, forcefield, and cell optimization.

Instructions

Queue a Forcite GeometryOptimization on the current GUI document using a manual-like calculation folder layout.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
coresNo
dryRunNo
qualityNoMedium
exportFileNo
forcefieldNoUniversal
confirmTokenNo
documentNameNo
optimizeCellNo
extraSettingsNo
maxIterationsNo
resultDocumentNoForcite.xsd
calculationNameNoForcite_GeometryOptimization
chargeAssignmentNoUse current

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observedv0.2.0-hardened.1

TDQS

C2.9/5.0
Behavior2/5

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

With no annotations, the description must carry the full burden. It says 'Queue' which implies asynchronous submission and mentions the folder layout, but it does not disclose side effects, prerequisites, confirmation flow, or result handling. An agent gets no warning about how the job executes or what happens to the current document.

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 one concise sentence with a front-loaded verb and resource. It is not bloated, but given the tool's complexity, the brevity is more under-specification than skillful conciseness.

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?

This is a complex 13-parameter tool with no output schema, no annotations, and 0% schema description coverage. The description omits prerequisites, parameter semantics, asynchronous behavior, and return behavior. It is not complete enough for an agent to use confidently without significant additional inference.

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

Parameters2/5

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 explain any of the 13 parameters. Details like dryRun, confirmToken, optimizeCell, chargeAssignment, and extraSettings remain entirely undocumented. The description adds essentially no meaning beyond the raw schema.

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

Purpose4/5

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

The description clearly states a specific action ('Queue'), resource ('Forcite GeometryOptimization'), and target ('current GUI document'), plus a distinctive folder-layout detail. It is distinguishable from sibling tools like ms_gui_dmol3_optimize_current, though it does not explicitly name them.

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 the tool: when a Forcite geometry optimization should be run on the current GUI document, with a manual-like folder layout. It does not explicitly state exclusions or alternatives, leaving some ambiguity versus ms_forcite or ms_gui_castep_current.

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