timeline

((** PLEASE NOTE: SIESTA DEVELOPMENT HAS MOVED TO THE Gitlab PLATFORM **))

While some historical releases are still available in Launchpad, updates and new code will be available ONLY in the official repository:

       https://gitlab.com/siesta-project/siesta

For an overview of the different strands of development, see:

       https://gitlab.com/siesta-project/siesta/-/wikis/Guide-to-Siesta-versions

-----------------------
The Siesta 4.1 series is a major step in Siesta development and introduces many new features and functionalities.

Siesta 4.1 includes: hybrid parallelization using MPI+OpenMP; new solvers (ELPA and MRRR for diagonalization, and PEXSI for massive calculations, without diagonalization); LDA+U functionality; spin-orbit coupling in the local approximation; new mixing algorithms for improved convergence; more constraint possibilities for geometry optimizations; gate calculations using charge/Hartree gates; and more.

Siesta 4.1 also includes a complete rewrite of TranSIESTA with several improved inversion algorithms and the ability to perform N(>=1)-electrode calculations. TBtrans is also completely rewritten to follow the progress in TranSIESTA with regards to N-electrode calculations.

The introduction of all these functionalities means that the code will be in beta for some time. If you try it, you might want to check the essential results of your calculations against those of earlier versions. Please report any inconsistencies experienced.

((** PLEASE NOTE: SIESTA DEVELOPMENT HAS MOVED TO THE Gitlab PLATFORM **))

       https://gitlab.com/siesta-project/siesta

For an overview of the different strands of development, see:

       https://gitlab.com/siesta-project/siesta/-/wikis/Guide-to-Siesta-versions

-----------------------------------------

Siesta-4.0 includes the van der Waals functionals, the new load-balancing code for real-space grid operations, a Wannier90 interface, a new Orbital-Minimization-Method solver, and other improvements and bug fixes.

((** PLEASE NOTE: SIESTA DEVELOPMENT HAS MOVED TO THE Gitlab PLATFORM **))

While some historical releases are still available in Launchpad, updates and new code will be available only in the official repository:

       https://gitlab.com/siesta-project/siesta

An overview of the official development branches can be seen at:

       https://gitlab.com/siesta-project/siesta/-/branches

The relevant Gitlab branch with the PSML functionality is: 'psml-support'

---------------------------------
An ad-hoc series to support distribution of Siesta versions with PSML support.
This is work-in-progress, and will eventually be merged into the main (trunk) version.

We welcome bug reports and suggestions for improvement.

For more information on PSML, see http://esl.cecam.org/PSML

Releases within the MaX project, associated to specific deliverables.