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
    • 3.6. horton.io – Input and output routines
      • 3.6.1. horton.io.cif – Crystalographic Information File format
      • 3.6.2. horton.io.cp2k – CP2K atomic wavefunctions
      • 3.6.3. horton.io.cube – Gaussian cube file format
      • 3.6.4. horton.io.gaussian – Gaussian LOG and FCHK file fromats
      • 3.6.5. horton.io.internal – HORTON internal file format
      • 3.6.6. horton.io.iodata – Input/output dispatcher for different file formats
      • 3.6.7. horton.io.lockedh5 – H5 file with lock
      • 3.6.8. horton.io.molden – Molden wavefunction input file format
      • 3.6.9. horton.io.molekel – Molekel wavefunction input file format
      • 3.6.10. horton.io.molpro – Molpro 2012 FCIDUMP format.
      • 3.6.11. horton.io.vasp – VASP POSCAR, CHGCAR and POTCAR file formats
      • 3.6.12. horton.io.wfn – WFN File format (Gaussian and GAMESS)
      • 3.6.13. horton.io.xyz – XYZ file format
    • 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 »
  • 3.6. horton.io – Input and output routines
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3.6. horton.io – Input and output routines¶

All input routines begin with load_. All output routines begin with dump_.

This package also contains a IOData class to facilitate reading from and writing to different file formats. It contains the methods from_file and to_file that automatically determine the file format based on the prefix or extension of the filename.

  • 3.6.1. horton.io.cif – Crystalographic Information File format
  • 3.6.2. horton.io.cp2k – CP2K atomic wavefunctions
  • 3.6.3. horton.io.cube – Gaussian cube file format
  • 3.6.4. horton.io.gaussian – Gaussian LOG and FCHK file fromats
  • 3.6.5. horton.io.internal – HORTON internal file format
  • 3.6.6. horton.io.iodata – Input/output dispatcher for different file formats
  • 3.6.7. horton.io.lockedh5 – H5 file with lock
  • 3.6.8. horton.io.molden – Molden wavefunction input file format
  • 3.6.9. horton.io.molekel – Molekel wavefunction input file format
  • 3.6.10. horton.io.molpro – Molpro 2012 FCIDUMP format.
  • 3.6.11. horton.io.vasp – VASP POSCAR, CHGCAR and POTCAR file formats
  • 3.6.12. horton.io.wfn – WFN File format (Gaussian and GAMESS)
  • 3.6.13. horton.io.xyz – XYZ file format
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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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