2.0.1
  • 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
    • 3.2. 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
      • 3.5.1. horton.grid.atgrid – Atomic grids
      • 3.5.2. horton.grid.base – Base classes for 3D integration grids
      • 3.5.3. horton.grid.cext – C++ extensions
      • 3.5.4. horton.grid.int1d – 1D integration algorithms
      • 3.5.5. horton.grid.molgrid – Molecular integration grids
      • 3.5.6. horton.grid.ode2 – Finite-element second-order ODE solver
      • 3.5.7. horton.grid.poisson – Becke-style numerical Poisson solver
      • 3.5.8. horton.grid.radial – 1D Radial integration grid
      • 3.5.9. horton.grid.utils – Auxiliaries for numerical integrals
      • 3.5.10. horton.grid.visual – Grids suitable for visualization
      • 3.5.11. horton/grid/becke.h – Becke partitioning weight function
      • 3.5.12. horton/grid/cubic_spline.h – One-dimensional cubic splines (on uniform grids)
      • 3.5.13. horton/grid/evaluate.h – Evaluation of splines on grids
      • 3.5.14. horton/grid/lebedev_laikov.h – Grids for quadrature on a sphere
      • 3.5.15. horton/grid/ode2.h – Second-order finite-element ODE solver using Hermite polynomials
      • 3.5.16. horton/grid/rtransform.h – Transformation from uniform 1D to non-uniform 1D grids
      • 3.5.17. horton/grid/uniform.h – Uniform 3D grids
      • 3.5.18. horton/grid/utils.h – Auxiliary functions
    • 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
    • 3.13. horton.scripts – Code (solely) used by HORTON’s command line scripts
HORTON
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  • 3. API Documentation »
  • 3.5. horton.grid – Numerical integration grids
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3.5. horton.grid – Numerical integration grids¶

  • 3.5.1. horton.grid.atgrid – Atomic grids
  • 3.5.2. horton.grid.base – Base classes for 3D integration grids
  • 3.5.3. horton.grid.cext – C++ extensions
  • 3.5.4. horton.grid.int1d – 1D integration algorithms
  • 3.5.5. horton.grid.molgrid – Molecular integration grids
  • 3.5.6. horton.grid.ode2 – Finite-element second-order ODE solver
  • 3.5.7. horton.grid.poisson – Becke-style numerical Poisson solver
  • 3.5.8. horton.grid.radial – 1D Radial integration grid
  • 3.5.9. horton.grid.utils – Auxiliaries for numerical integrals
  • 3.5.10. horton.grid.visual – Grids suitable for visualization
  • 3.5.11. horton/grid/becke.h – Becke partitioning weight function
  • 3.5.12. horton/grid/cubic_spline.h – One-dimensional cubic splines (on uniform grids)
  • 3.5.13. horton/grid/evaluate.h – Evaluation of splines on grids
  • 3.5.14. horton/grid/lebedev_laikov.h – Grids for quadrature on a sphere
  • 3.5.15. horton/grid/ode2.h – Second-order finite-element ODE solver using Hermite polynomials
  • 3.5.16. horton/grid/rtransform.h – Transformation from uniform 1D to non-uniform 1D grids
  • 3.5.17. horton/grid/uniform.h – Uniform 3D grids
  • 3.5.18. horton/grid/utils.h – Auxiliary functions
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Documentation for HORTON 2.0.1 built from release 2.0.1 (Jun 17, 2016).

© Copyright 2011-2015, The HORTON Development Team. Last updated on Jun 17, 2016.

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