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Charged atoms?

Status: Open.

#103 In dftbplus/skprogs;

· andrewshyichuk opened on Oct 24, 2024

There is another sktools

Status: Open.

#101 In dftbplus/skprogs;

· andrewshyichuk opened on Oct 22, 2024

The degree of compatibility with LibXC / other functionals

Status: Open.

#100 In dftbplus/skprogs;

· andrewshyichuk opened on Oct 21, 2024

Implement multipole integrals

enhancementNew feature or requestNew feature or request

Status: Open.

#95 In dftbplus/skprogs;

· vanderhe opened on Aug 23, 2024

Problematic nitrogen basis in examples

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#92 In dftbplus/skprogs;

· vanderhe opened on Jul 29, 2024

Total energy broken for ZORA enabled runs

bugSomething isn't workingSomething isn't working

Status: Open.

#60 In dftbplus/skprogs;

· vanderhe opened on Jun 22, 2023

Install doesn't work

Status: Open.

#58 In dftbplus/skprogs;

· bhourahine opened on May 12, 2023

Thread safety of anglib and problematic derived types for OMP

Status: Open.

#28 In dftbplus/skprogs;

· vanderhe opened on Feb 25, 2022

Repository layout

Status: Open.

#8 In dftbplus/skprogs;

· bhourahine opened on Nov 27, 2021

Documentation and tutorial material

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#7 In dftbplus/skprogs;

· bhourahine opened on Nov 27, 2021

Git templates for issues

Status: Open.

#6 In dftbplus/skprogs;

· bhourahine opened on Nov 27, 2021