rgpycrumbs rgpycrumbs rgpycrumbs
    • chemparseplot Parsing and plotting for computational chemistry
    • eOn Long-timescale molecular dynamics engine, primary consumer
    • pychum Input file generation for ORCA and NWChem
  • PyPI
/

Tutorials

  • Quickstart
  • NEB Reaction Path Visualization
  • Saddle Search Visualization
  • Minimization Visualization
  • Rendering Backends Guide

How-to Guides

  • Installation Guide
  • Frequently Asked Questions
  • Troubleshooting Guide
  • How-to: Run Tests and Check Coverage

Tools

  • eOn Helpers
  • ChemGP Plotting
  • ORCA Tools
    • ORCA Input Generator
  • Geometry Helpers
  • Surface Fitting with Kernel Methods
  • Variance Windowing and Chunking
  • Numerical Stability
  • Troubleshooting
  • General Utilities
  • Prefix Helpers

Reference

  • API Reference
  • Glossary
  • Changelog
  • Used By

Contributing

  • Contributing to rgpycrumbs
  • Developer Documentation
  • How to Cite rgpycrumbs
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ORCA ToolsΒΆ

Author:

Rohit Goswami

Tools for generating and managing ORCA calculations.

  • ORCA Input Generator
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2025, Rohit Goswami

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