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
      • 3.4.1. horton.gbasis.cext – C++ extensions
      • 3.4.2. horton.gbasis.gobasis – Gaussian orbital basis set module.
      • 3.4.3. horton.gbasis.iobas – Input/Output routines for gaussian basis sets
      • 3.4.4. horton/gbasis/boys.h – The Boys function
      • 3.4.5. horton/gbasis/calc.h – Base class for any integral/evaluation of Gaussian functions
      • 3.4.6. horton/gbasis/cartpure.h – Conversion of Cartesian to Pure Gaussian functions
      • 3.4.7. horton/gbasis/cholesky.h – Cholesky decomposition of (any) four-center integrals
      • 3.4.8. horton/gbasis/common.h – Auxiliary functions
      • 3.4.9. horton/gbasis/fns.h – Evaluation of functions expanded in a Gaussian basis
      • 3.4.10. horton/gbasis/gbasis.h – Gaussian basis set classes
      • 3.4.11. horton/gbasis/gbw.h – A four-center integral wrapper for the Cholesky code
      • 3.4.12. horton/gbasis/ints.h – Evaluation of integrals of Gaussian basis functions
      • 3.4.13. horton/gbasis/iter_gb.h – Iterators over Gaussian basis functions
      • 3.4.14. horton/gbasis/iter_pow.h – Iterators over Cartesian polynomials in one shell
    • 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
    • 3.13. horton.scripts – Code (solely) used by HORTON’s command line scripts
HORTON
  • Docs »
  • 3. API Documentation »
  • 3.4. horton.gbasis – Gaussian basis sets
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3.4. horton.gbasis – Gaussian basis sets¶

  • 3.4.1. horton.gbasis.cext – C++ extensions
  • 3.4.2. horton.gbasis.gobasis – Gaussian orbital basis set module.
  • 3.4.3. horton.gbasis.iobas – Input/Output routines for gaussian basis sets
  • 3.4.4. horton/gbasis/boys.h – The Boys function
  • 3.4.5. horton/gbasis/calc.h – Base class for any integral/evaluation of Gaussian functions
  • 3.4.6. horton/gbasis/cartpure.h – Conversion of Cartesian to Pure Gaussian functions
  • 3.4.7. horton/gbasis/cholesky.h – Cholesky decomposition of (any) four-center integrals
  • 3.4.8. horton/gbasis/common.h – Auxiliary functions
  • 3.4.9. horton/gbasis/fns.h – Evaluation of functions expanded in a Gaussian basis
  • 3.4.10. horton/gbasis/gbasis.h – Gaussian basis set classes
  • 3.4.11. horton/gbasis/gbw.h – A four-center integral wrapper for the Cholesky code
  • 3.4.12. horton/gbasis/ints.h – Evaluation of integrals of Gaussian basis functions
  • 3.4.13. horton/gbasis/iter_gb.h – Iterators over Gaussian basis functions
  • 3.4.14. horton/gbasis/iter_pow.h – Iterators over Cartesian polynomials in one shell
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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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