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Built with OCC

OCC powers several applications and tools in the computational chemistry community. Here are some examples of projects using OCC.

CrystalExplorer​

CrystalExplorer is a comprehensive tool for investigating intermolecular interactions and crystal packing using Hirshfeld surface analysis.

OCC Integration:

  • Crystal structure analysis and visualization
  • Intermolecular interaction energy calculations
  • Surface property computations
  • Energy decomposition analysis

Website: crystalexplorer.net

CrystalExplorer
Wavefunction Calculator

Wavefunction Calculator​

The Wavefunction Calculator is a web-based tool for quantum chemistry calculations.

OCC Integration:

  • In-browser DFT calculations via WebAssembly
  • Real-time wavefunction analysis
  • Interactive molecular property calculations
  • Electron density visualization

Website: prs.wiki/utilities/wavefunction-calculator


Use OCC in Your Project​

OCC is open source and available for integration into your own applications:

Command Line​

Install and use OCC for computational chemistry workflows.

C++ API​

Integrate OCC's computational capabilities directly into your C++ applications. API Documentation

WebAssembly​

Run OCC calculations directly in the browser with no installation required.

Python API​

Use OCC from Python for scripting and automation workflows. PyPI Package

Contributing​

Interested in contributing to OCC or building something with it? Check out the GitHub Repository, Tutorials, or API Documentation.