AtomDB
0.0.1

Introduction

  • About
  • License
  • Citing AtomDB
  • Code of Conduct

User Documentation

  • Installation
  • Setup
  • Tutorials
    • Getting Started
      • Requirements
      • Script usage
      • Atom-DB as a Python library
        • Loading/Dumping Data
        • Getting Atomic Properties
    • Promolecule properties
      • Building a promolecule
      • Extensive (global) properties
      • Extensive (local) properties: density properties
        • Visualizing density properties
      • Intensive properties
      • Promolecule with floating point charges and/or multiplicities
    • Non Covalent Interactions from Promolecular Densities
      • Packages install for Google Colab

API Reference

  • atomdb
    • atomdb package
      • Subpackages
        • atomdb.datasets package
      • Submodules
        • atomdb.periodic module
        • atomdb.promolecule module
        • atomdb.species module
        • atomdb.utils module
        • atomdb.version module
      • Module contents
AtomDB
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