Version 3.1 (2023-12-12)
- quasi-Newton optimization of transition states (ricTS)
- support PAW potentials in xml format
- speedup in spin constraint for large systems
- DFT+U with PAW sphere projection
- partial DOS computed from SPHInX run
- sxdefectalign 3.0: mixed screening support, ionic core fitting
- sxdefectalign2d can output 3D potentials

Version 3.0 (2021-04-16)
- complete rewrite of the vector class
- speed-up for k dot p
- fitting of k dot p parameters to band structure
- automatic elliptic cutoff for k dot p
- code cleanup
- reorganized directory structure and code dependencies

Version 2.7 (2020-08-31)
- Methfessel-Paxton smearing (and Fermi-Dirac order 1)
- van-der-Waals: Grimme D2 (and experimental Tkatchenko-Scheffler)
- faster LCAO initialization for norm-conserving PPs
- sxdefectalign2d: print slope or potential step
- generic netlib (CBLAS+LAPACKE) interface for BLAS/LAPACK libs
- corner-case optimization of AO projections (+ fixes for GCC9 on Skylake architecture)
- AVX code should compile with Intel compiler

Version 2.6 (2019-05-22)
- Hubbard-U on atomic quamols (via HubbardMO)
- atomic density transfer with Hirshfeld decomposition
- better Pulay reininitialization: keep the best case
- forces for single-point calculations via evalForces{}
- fix PAW spin initialization via total moment
- improved openmp parallelization for xc in PAW sphere
- improved performance of AO projections
- made vector allocation thread-safe

Version 2.5 (2018-12-18)
- k-point parallelization of norm-conserving PPs
- more openmp parallelization
- Hubbard-U for molecular orbitals (homonuclear diatomics)
- Hubbard-U on PAW projectors
- reduced memory demands

Version 2.4 (2017-06-06)
- elliptic preconditioner for metallic slabs
- charge initialization in rho setup via input file
- consistent definition of total energy/potential/forces for charged slabs
- ric optimizer: revised implementation, external interface (sxopt)
- structure optimizer trajectories
- charge corrections for 2D/slab systems
- sxdefectalign for quantum espresso
- latest features in k.p code from Oliver Marquardt

Version 2.3 (2016-11-24)
- ricQN minimizer
- defect strain tools
- generalized dipole correction
- FFT2d+1d for SxPWHamiltonian

Version 2.2 (2016-09-06)
- use C++14 standard
- symmetry code: class to deal with equivalent atoms
- more openmp parallelization
- sxdefectalign for socorro
- sxdefectalign for anisotropic dielectric tensor
- extControl {} interface to steer SPHInX via pipes
- improved spinconstraints (faster, less memory)
- SxPWHamiltonian uses SxAOBasis for fast nonlocal projections
- block algorithms in exact-exchange

Version 2.1 (2016-04-05)
- spin constraints
- hierarchical MPI parallelization
- Harris-Foulkes functional
- openmp parallelization
- improved PAW potential readers (VASP, atompaw 4.0)
- fast non-local projectors (sxgemmm/sxpgem3m)
- HSE
- image charge method for 2D systems (add-on)
- quamols add-on
- ELNES add-on
- phonon model for ionic systems (add-on)

Version 2.0 (2012-05-23)
- PAW
- k dot p
