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
    • 2.1. Contributors
    • 2.2. Release planning
    • 2.3. Release history
    • 2.4. Data file formats (input and output)
    • 2.5. Atomic integration grids
    • 2.6. Gaussian basis sets
    • 2.7. LibXC Functionals
    • 2.8. Acronyms
    • 2.9. HORTON dictionary of variables
    • 2.10. Literature
  • 3. API Documentation
HORTON
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  • 2. Reference Documentation
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2. Reference DocumentationΒΆ

  • 2.1. Contributors
  • 2.2. Release planning
    • 2.2.1. Stable API and beta code
    • 2.2.2. Unstable code in HORTON 2.0.1
    • 2.2.3. Features in development
  • 2.3. Release history
  • 2.4. Data file formats (input and output)
    • 2.4.1. Molecular geometry file formats
      • 2.4.1.1. The .xyz format
      • 2.4.1.2. The POSCAR format
      • 2.4.1.3. The .cif (Crystalographic Information File) format
    • 2.4.2. Cube file formats
      • 2.4.2.1. The Gaussian .cube format
      • 2.4.2.2. The VASP CHGCAR and LOCPOT formats
    • 2.4.3. Wavefunction formats (using a Gaussian basis set)
      • 2.4.3.1. The Gaussian .fchk format
      • 2.4.3.2. The .molden format
      • 2.4.3.3. The .mkl (Molekel) format
      • 2.4.3.4. The .wfn format
    • 2.4.4. Hamiltonian file formats
      • 2.4.4.1. The Molpro 2012 FCIDUMP format
      • 2.4.4.2. The Gaussian .log file
    • 2.4.5. HORTON’s internal file format
  • 2.5. Atomic integration grids
    • 2.5.1. Built-in grids
    • 2.5.2. The --grid option
  • 2.6. Gaussian basis sets
    • 2.6.1. Standard basis sets
    • 2.6.2. Collected notes on Gaussian basis sets
      • 2.6.2.1. Introduction
      • 2.6.2.2. Cartesian basis functions
      • 2.6.2.3. Pure or harmonic basis functions
      • 2.6.2.4. Transformation from Cartesian to pure basis functions
      • 2.6.2.5. Recursion relations for real regular solid harmonics
  • 2.7. LibXC Functionals
  • 2.8. Acronyms
  • 2.9. HORTON dictionary of variables
    • 2.9.1. Rules
    • 2.9.2. Variable names and prefixes
  • 2.10. Literature
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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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