8000 Release Release 1.5.3 · qcserenity/serenity · GitHub
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Release 1.5.3
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@nabbelbabbel nabbelbabbel released this 25 Oct 11:05
· 7 commits to master since this release
1.5.3
1addb11

Release 1.5.3 (25.10.2023)

Functionalities

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