2.0.2
  • 1. HORTON Overview
  • 2. Citing HORTON
  • 3. License Information
  • 4. Contact Information

User documentation

  • 1. Download and Installation
  • 2. Getting Started
  • 3. Hamiltonians
  • 4. Electronic Structure Methods
  • 5. Post-processing
  • 6. Other Topics

Technical stuff

  • 1. Developer Documentation
  • 2. Reference Documentation
  • 3. API Documentation
    • 3.1. horton – The main HORTON Package
    • 3.2. horton.correlatedwfn – Methods for correlated wavefunctions
    • 3.3. horton.espfit – Electrostatic potential fitting
    • 3.4. horton.gbasis – Gaussian basis sets
    • 3.5. horton.grid – Numerical integration grids
    • 3.6. horton.io – Input and output routines
    • 3.7. horton.localization – Methods for orbital localization
    • 3.8. horton.matrix – One-, two-, three- and four-dimensional matrix implementations
    • 3.9. horton.meanfield – Mean-field electronic structure code
    • 3.10. horton.modelhamiltonians – Model Hamiltonians
    • 3.11. horton.orbital_entanglement – Methods for measuring orbital entanglement
    • 3.12. horton.part – Density-based partitioning (fuzzy atoms-in-molecules) package
      • 3.12.1. horton.part.base – Base classes for (atoms-in-molecules) partitioning algorithms
      • 3.12.2. horton.part.becke – Becke partitioning
      • 3.12.3. horton.part.hirshfeld – Hirshfeld partitioning
      • 3.12.4. horton.part.hirshfeld_e – Extended Hirshfeld (HE) partitioning
      • 3.12.5. horton.part.hirshfeld_i – Iterative Hirshfeld (HI) partitioning
      • 3.12.6. horton.part.iterstock – Iterative Stockholder Analysis (ISA) partitioning
      • 3.12.7. horton.part.mbis – Minimal Basis Iterative Stockholder (MBIS) partitioning
      • 3.12.8. horton.part.mulliken – Mulliken partitioning
      • 3.12.9. horton.part.proatomdb – Pro-atom databases
      • 3.12.10. horton.part.stockholder – Base classes for all stockholder partitioning schemes
      • 3.12.11. horton.part.symmetry – Symmetry analysis of atoms-in-molecules results
    • 3.13. horton.scripts – Code (solely) used by HORTON’s command line scripts
HORTON
  • Docs »
  • 3. API Documentation »
  • 3.12. horton.part – Density-based partitioning (fuzzy atoms-in-molecules) package
  • View page source

3.12. horton.part – Density-based partitioning (fuzzy atoms-in-molecules) package¶

  • 3.12.1. horton.part.base – Base classes for (atoms-in-molecules) partitioning algorithms
  • 3.12.2. horton.part.becke – Becke partitioning
  • 3.12.3. horton.part.hirshfeld – Hirshfeld partitioning
  • 3.12.4. horton.part.hirshfeld_e – Extended Hirshfeld (HE) partitioning
  • 3.12.5. horton.part.hirshfeld_i – Iterative Hirshfeld (HI) partitioning
  • 3.12.6. horton.part.iterstock – Iterative Stockholder Analysis (ISA) partitioning
  • 3.12.7. horton.part.mbis – Minimal Basis Iterative Stockholder (MBIS) partitioning
  • 3.12.8. horton.part.mulliken – Mulliken partitioning
  • 3.12.9. horton.part.proatomdb – Pro-atom databases
  • 3.12.10. horton.part.stockholder – Base classes for all stockholder partitioning schemes
  • 3.12.11. horton.part.symmetry – Symmetry analysis of atoms-in-molecules results
Next Previous
Documentation for HORTON 2.0.2 built from release 2.0.2 (Jun 30, 2017).

© Copyright 2011-2015, The HORTON Development Team. Last updated on Jun 30, 2017.

Built with Sphinx using a theme provided by Read the Docs.