chemtools-review-input

name	chemtools-review-input
description	Review an existing NWChem, OpenMolcas, DIRAC, GRASP, Quantum ESPRESSO, or QMCPACK input before execution. Use when the user asks whether an input is valid, internally consistent, or ready to run without rewriting or launching it.

Review a chemistry input

Use the Chemtools review_input MCP tool for the scientific review. Keep the workflow read-only.

1. Require one caller-supplied input path. Do not scan a directory for likely inputs.
2. Pass program only when the user identifies it or automatic detection reports ambiguity. Do not override a positive content match.
3. Call review_input once with the exact path.
4. Report the detected program, assessment label and reasons, relevant parsed evidence, every uncertainty entry, and the highest-priority next actions.
5. Describe a clean assessment as passing the checks that backend implements. Do not claim complete program-syntax or scientific validation.

Do not draft replacement text, write a file, or start a calculation unless the user separately requests that action. Use draft_input only when the user wants a new input from a complete molecular specification. Use chemtools-inspect-run when the primary artifact is output from a run.

If the tool rejects the file as unsupported or ambiguous, preserve that result and ask for the smallest missing fact, usually the program or correct primary input path. Do not guess from the filename alone.