Stable releases

Version 2.0.0

Release date: May 2022

This version supports:

  • The Ions object is inherit from ASE.atoms

  • Parallel implementation with mpi4py

  • Supported spin polarized runs

  • New td-OF-DFT code for real-time propagation and Casida

  • Nonadiabatic Pauli potential with the JP functional

  • Supported non-standard semilocal kinetic functionals , such as LKT and PG

  • Meta-GGA functional

  • Non-local exchange-correlation functional (rVV10)

  • One-orbital ensemble self-consistent field (OE-SCF) solver

  • Initial density generator

Version 1.0.0

Release date: January 2020

This version supports:

  • OFDFT electron density optimization

  • Latest nonlocal KEDFs

  • Ab initio dynamics

  • Hydrodynamic DFT (TD-OFDFT)

  • I/O for plotting and to several file formats

  • Several examples (also on Jupyter notebooks)