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