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Any way of exporting H and S?

Status: Open.

#1871 In dftbplus/dftbplus;

· KarelCuypersUA opened on Jun 29, 2026

GeometryOptimization fix angles broken

Status: Open.

#1870 In dftbplus/dftbplus;

· bhourahine opened on Jun 27, 2026

Enable smooth real space cutoffs for D3/D4

Status: Open.

#1862 In dftbplus/dftbplus;

· awvwgk opened on Jun 22, 2026

Implement ASI Basis Descriptor for DFTB+

Status: Open.

#1815 In dftbplus/dftbplus;

· GabrielBram opened on Mar 24, 2026

Significant memory leak in API

Status: Open.

#1812 In dftbplus/dftbplus;

· chemsh opened on Mar 17, 2026

Infinite loop with default solver.

Status: Open.

#1804 In dftbplus/dftbplus;

· jarvist opened on Feb 26, 2026

Self-consistency Convergence Issue in GFN2 Method

Status: Open.

#1793 In dftbplus/dftbplus;

· DaedalusFlying opened on Jan 27, 2026

Molecules in crystal disintegrate during optimization and SCC does not converge

stale

Status: Open.

#1789 In dftbplus/dftbplus;

· mbatgh opened on Jan 13, 2026

Order of spin constants for transition metals is confusing when using extended tight-binding

stale

Status: Open.

#1731 In dftbplus/dftbplus;

· stflavian opened on Oct 2, 2025

Dependencies should be linked primarily PRIVATE

Status: Open.

#1720 In dftbplus/dftbplus;

· hmenke opened on Jul 21, 2025

Enable xtb for MPI-parallel real-time TD-DFTB

Status: Open.

#1692 In dftbplus/dftbplus;

· fbonafe opened on May 23, 2025

Enable hybrid-xc for MPI-parallel real-time TD-DFTB

Status: Open.

#1691 In dftbplus/dftbplus;

· fbonafe opened on May 23, 2025