Issues

• Charged atoms?

  dftbplus/skprogs#103 · Filter by author andrewshyichuk opened on Oct 24, 2024

• There is another sktools

  dftbplus/skprogs#101 · Filter by author andrewshyichuk opened on Oct 22, 2024
  1

• The degree of compatibility with LibXC / other functionals

  dftbplus/skprogs#100 · Filter by author andrewshyichuk opened on Oct 21, 2024
  1

• Implement multipole integrals

  enhancement
  dftbplus/skprogs#95 · Filter by author vanderhe opened on Aug 23, 2024
  

• Problematic nitrogen basis in examples

  documentation
  dftbplus/skprogs#92 · Filter by author vanderhe opened on Jul 29, 2024

• Total energy broken for ZORA enabled runs

  bug
  dftbplus/skprogs#60 · Filter by author vanderhe opened on Jun 22, 2023

• Install doesn't work

  dftbplus/skprogs#58 · Filter by author bhourahine opened on May 12, 2023

• Thread safety of anglib and problematic derived types for OMP

  dftbplus/skprogs#28 · Filter by author vanderhe opened on Feb 25, 2022
  

• Repository layout

  dftbplus/skprogs#8 · Filter by author bhourahine opened on Nov 27, 2021

• Documentation and tutorial material

  documentation
  dftbplus/skprogs#7 · Filter by author bhourahine opened on Nov 27, 2021

• Git templates for issues

  dftbplus/skprogs#6 · Filter by author bhourahine opened on Nov 27, 2021
  1