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Release 1.6.1

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@TalpaE TalpaE released this 19 Mar 12:25
· 2 commits to master since this release
1.6.1
467e455

Release 1.6.1 (19.03.2024)

Functionalities

  • Added a task that provides direct access to integral files such as the core Hamiltonian (Moritz Bensberg)
  • External charges may now be used as an additional potential and read from file (Moritz Bensberg)

Technical Features

  • Negative numbers as input for unsigned variables are now taken as their absolute value and a warning is issued (Niklas Göllmann)
  • SCF-Damping reworked internally (Lukas Paetow)
Assets 3
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