1 research outputs found
qcserenity/serenity: Release 1.5.3
<h2>Release 1.5.3 (25.10.2023)</h2>
<h3>Functionalities</h3>
<ul>
<li>Added two flavors of restricted open-shell HF and KS for the ground-state (Niklas Niemeyer)</li>
<li>Fermi-shifted Huzinaga EO Kernel for subsystem TDDFT (Niklas Niemeyer)</li>
<li>Laplace-Transform GW (Johannes Tölle, Niklas Niemeyer)</li>
<li>Renamed ReadOrbitalsTask to OrbitalsIOTask (Niklas Göllmann)</li>
<li>Added the functionality to write Turbomole files (Niklas Göllmann)</li>
<li>Added the functionality to write Molden files for both spherical and cartesian harmonics (Niklas Göllmann)</li>
<li>Added three schemes to generate complete basis function products for the Cholesky
decomposition framework: Simple, First, Complete (Lars Hellmann)</li>
<li>Added the functionality to control density fitting for individual
contributions (Coulomb, exchange, long-range exchange, correlation)</li>
</ul>