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    • Analyze ➯ Dataset Analysis
    • Analyze ➯ Error Analysis
    • Analyze ➯ Data Equivariance
    • Convert ➯ OpenMX Interface
    • Convert ➯ HopCP Interface
    • Convert ➯ DeepH Interface
    • Convert ➯ ABACUS Interface
    • Convert ➯ FHI-aims Interface
    • Convert ➯ SIESTA Interface
    • Design ➯ Mattergen & CHGNet
    • Design ➯ Twist 2D materials
    • Compute ➯ Hamiltonian Diagonalization
    • Compute ➯ Overlap Matrix
    • Compute ➯ PySCF Interface
    • Compute ➯ Density Matrix
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    • Collaboration Guide
    • Development Guide
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For Developers

For Developers#

This section contains comprehensive guides for community contributors and developers.

  • Collaboration Guide
    • Ways to Contribute
    • Development Workflow Overview
    • Fork and Pull Request Process
    • Contributor License Agreement (CLA)
    • Getting Help
  • Development Guide
    • Architecture Overview
    • Data Formats & Specifications
    • Extending DeepH-dock
    • Documentation with Jupyter Notebooks
    • Best Practices & Conventions
    • Next Steps

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Density Matrix

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Collaboration Guide

By The DeepH team

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