Published February 4, 2026 | Version v1.0.0
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ali-m-dinani/reaxkit: ReaxKit v1.0.0: Core File Handling & Analysis

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Description

Initial public release of ReaxKit.

This release provides:

  • A modular Python toolkit for parsing, analyzing, and visualizing ReaxFF outputs
  • Structured handlers for core ReaxFF files (e.g. xmolout, fort.7)
  • Composed and per-file analysis workflows
  • A CLI interface with autogenerated help and introspection
  • Automatically generated API documentation and project website

This version establishes the public API and documentation foundation for future development.

Files

ali-m-dinani/reaxkit-v1.0.0.zip

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