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Fix Job

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Description

Diagnose and fix a failed VASP job, then restart it. Arguments: $ARGUMENTS (job directory path, optional) ## Automatic Fix Workflow 1. **Identify the job directory**: - Use $ARGUMENTS if provided - Otherwise use current directory 2. **Read and diagnose OUTCAR**: ```bash grep -i "error\|fatal\|zbrent\|warning\|killed" OUTCAR | head -30 ``` 3. **Determine the failure type and apply fix**: ### Electronic Convergence (ZBRENT, EDIFF not reached) ```python # Fixes to apply: new_pa

Installation

Installs to ~/.claude/commands/jkitchin-vasp-fix-job.md

Terminal
mkdir -p ~/.claude/commands && curl -fsSL https://raw.githubusercontent.com/jkitchin/vasp/HEAD/.claude/commands/fix-job.md -o ~/.claude/commands/jkitchin-vasp-fix-job.md

Restart Claude Code, or start a new session, for it to be picked up.

Full documentation available on GitHub

View Source Repository