Logo
2.1.1
  • 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
      • 3.1.1. horton.cache – Avoid recomputation of earlier results and reallocation of existing arrays
      • 3.1.2. horton.cext – C++ extensions
      • 3.1.3. horton.constants – Physicochemical constants in atomic units
      • 3.1.4. horton.context – The context in which HORTON is used
      • 3.1.5. horton.exceptions – Definition of all excpetions in HORTON
      • 3.1.6. horton.log – Screen logging, timing and citation management
      • 3.1.7. horton.moments – Auxiliary routines related to multipole moments
      • 3.1.8. horton.orbital_utils – Utility functions for orbital modifications
      • 3.1.9. horton.periodic – Periodic table of elements
      • 3.1.10. horton.quadprog – A light-weight quadratic programming solver
      • 3.1.11. horton.symmetry – Geometric symmetries
      • 3.1.12. horton.units – Conversion from and to atomic units
      • 3.1.13. horton.utils – Utility functions
      • 3.1.14. horton/cell.h – Unit cell code to specify periodic boundary conditions
      • 3.1.15. horton/moments.h – Efficient evaluation of various of polynomials
      • 3.1.16. horton/nucpot.h – Low-level implementation of nuclear potential on a grid
    • 3.2. horton.espfit – Electrostatic potential fitting
    • 3.3. horton.gbasis – Gaussian basis sets
    • 3.4. horton.grid – Numerical integration grids
    • 3.5. horton.io – Input and output routines
    • 3.6. horton.matrix – One-, two-, three- and four-dimensional matrix implementations
    • 3.7. horton.meanfield – Mean-field electronic structure code
    • 3.8. horton.modelhamiltonians – Model Hamiltonians
    • 3.9. horton.part – Density-based partitioning (fuzzy atoms-in-molecules) package
    • 3.10. horton.scripts – Code (solely) used by HORTON’s command line scripts
HORTON
  • Docs »
  • 3. API Documentation »
  • 3.1. horton – The main HORTON Package
  • View page source

3.1. horton – The main HORTON Package¶

  • 3.1.1. horton.cache – Avoid recomputation of earlier results and reallocation of existing arrays
  • 3.1.2. horton.cext – C++ extensions
  • 3.1.3. horton.constants – Physicochemical constants in atomic units
  • 3.1.4. horton.context – The context in which HORTON is used
  • 3.1.5. horton.exceptions – Definition of all excpetions in HORTON
  • 3.1.6. horton.log – Screen logging, timing and citation management
  • 3.1.7. horton.moments – Auxiliary routines related to multipole moments
  • 3.1.8. horton.orbital_utils – Utility functions for orbital modifications
  • 3.1.9. horton.periodic – Periodic table of elements
  • 3.1.10. horton.quadprog – A light-weight quadratic programming solver
  • 3.1.11. horton.symmetry – Geometric symmetries
  • 3.1.12. horton.units – Conversion from and to atomic units
  • 3.1.13. horton.utils – Utility functions
  • 3.1.14. horton/cell.h – Unit cell code to specify periodic boundary conditions
  • 3.1.15. horton/moments.h – Efficient evaluation of various of polynomials
  • 3.1.16. horton/nucpot.h – Low-level implementation of nuclear potential on a grid
Next Previous
Documentation for HORTON 2.1.1 built from release 2.1.1-1-g3a5adfea (Jan 18, 2019).

© Copyright 2011-2015, The HORTON Development Team. Last updated on Jan 18, 2019.

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