:date: 2024-03-04
:author: Albert Katbashev
:category: release
:tags: xtb

xtb version 6.7.0 released
==========================

.. image:: https://github.com/awvwgk/xtb-logo/raw/master/xtb.svg
   :alt: xtb logo

We are happy to release a new version of ``xtb``.
This version introduced several powerful features and enhancements, including the new CPCM-X solvation model, support for periodic boundary conditions in GFN-FF, and an implementation of dipole moments within the GFN-FF framework. 
A range of computational methods was added or refined, such as the Dimer Projection (DIPRO) method, PTB (Density Tight-Binding) potential, and support for Raman activity calculations with user-defined wavelength and temperature. 
External-driver optimization was improved through automatic writing of updated coordinate files and better output formatting. 
Users also gained access to new features like the sandwich potential model, total-atom constraints, and COSMO file output in TM convention. 

Many thanks to Benedict Bädorf (`@benbaed <https://github.com/benbaed>`_), 
Sebastian Ehlert (`@awvwgk <https://github.com/awvwgk>`_), 
Joel Einbinder (`@JoelEinbinder <https://github.com/JoelEinbinder>`_), 
Julia Kohn (`@demonic-daisy <https://github.com/demonic-daisy>`_), 
Marcel Müller (`@marcelmbn <https://github.com/marcelmbn>`_), 
Christoph Plett (`@cplett <https://github.com/cplett>`_), 
Thomas Rose (`@Thomas3R <https://github.com/Thomas3R>`_), 
Marcel Stahn (`@MtoLStoN <https://github.com/MtoLStoN>`_), and 
Jinzha Zeng (`@njzjz <https://github.com/njzjz>`_) for contributing to this release.

Find the complete release notes `here <https://github.com/grimme-lab/xtb/releases/tag/v6.7.0>`__.