materials-studio-mcp-moc

md_project_initialize

Create a non-overwriting, reproducible project directory and manifest for MS/LAMMPS/VMD workflows, ensuring consistent setup and auditability.

Instructions

Create a non-overwriting, reproducible MS/LAMMPS/VMD project directory and manifest.

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": {
      "project_id": "<project_id>",
      "title": "<title>"
    },
    "name": "md_project_initialize"
  }
}

Input Schema

Name	Required	Description	Default
`title`	Yes
`dry_run`	No
`project_id`	Yes
`projects_root`	No

Output Schema

Name	Required	Description	Default
No arguments

Schema Changelog

Changes observed during successful MCP inspections.

First observedv0.1.0Aug 3, 2026

TDQS

B3.1/5.0

Behavior2/5

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

With no annotations, the description carries full burden. It discloses the non-overwriting behavior and reproducibility intent, but it does not explain what happens if the project directory already exists, what the manifest contains, whether permissions are needed, or what the return/output looks like. This is insufficient for a mutation tool with no annotation safety cues.

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, front-loaded sentence with no filler. Every word contributes meaning, and the key action and object are immediately clear. It is appropriately concise for the information it conveys.

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?

Despite having an output schema, the tool has no annotations and four parameters with zero schema description coverage. The description does not explain invocation context, parameter roles, or behavior on existing projects, making it incomplete for reliable agent selection and correct 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%, and the description provides no parameter-level explanation. It does not mention project_id, title, dry_run, or projects_root, leaving critical details like dry_run semantics and projects_root usage completely unexplained. The description adds no meaning beyond the raw 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?

Description uses a specific verb ('Create') with a specific resource ('MS/LAMMPS/VMD project directory and manifest') and clearly distinguishes this initialization tool from sibling project-management tools like md_project_get or md_project_update_specification. The qualifiers 'non-overwriting' and 'reproducible' further narrow its purpose.

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 phrase 'non-overwriting' and the tool name 'initialize' imply this is for creating a new project rather than updating or inspecting one, but no explicit when-to-use/not-use guidance or alternative tool names are given. The usage context is implied rather than stated.

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

Deploy Server