Skip to content

Releases: dkrizhanovskyi/molecular-orbitals

Updated Release of Molecular Orbitals Library

23 Aug 20:34
Compare
Choose a tag to compare

This is the initial release of the Molecular Orbitals library. This version includes:

  • Implementation of Hartree-Fock and DFT methods.
  • Integration with Psi4 for advanced quantum chemical calculations.
  • 2D and 3D visualization tools for molecular orbitals.
  • Command-line interface for seamless interaction.

Full Changelog: https://github.com/dkrizhanovskyi/molecular-orbitals/commits/v1.0.1

Initial Release of Molecular Orbitals Library

23 Aug 19:43
Compare
Choose a tag to compare

This is the initial release of the Molecular Orbitals library. This version includes:

  • Implementation of Hartree-Fock and DFT methods.
  • Integration with Psi4 for advanced quantum chemical calculations.
  • 2D and 3D visualization tools for molecular orbitals.
  • Command-line interface for seamless interaction.