Issues

• Support D3S

  enhancement
  dftd3/simple-dftd3#237 · Filter by author awvwgk opened on Sep 20, 2026
  1

• Convergence of coordination number with realspace cutoff

  dftd3/simple-dftd3#225 · Filter by author awvwgk opened on Aug 14, 2026

• Output test fails on Windows

  bug
  dftd3/simple-dftd3#220 · Filter by author awvwgk opened on Aug 10, 2026

• Enable cutoff smoothing by default

  dftd3/simple-dftd3#199 · Filter by author awvwgk opened on Jun 22, 2026
  2

• Support Koide damping function

  dftd3/simple-dftd3#189 · Filter by author awvwgk opened on May 31, 2026

• Too many continuation lines for Fortran 2008

  dftd3/simple-dftd3#148 · Filter by author jme52 opened on Jul 30, 2025

• Parameters for DFTB3

  parameters
  dftd3/simple-dftd3#145 · Filter by author awvwgk opened on May 23, 2025

• Parameters for solid state functionals with unclear reference

  parameters
  dftd3/simple-dftd3#144 · Filter by author awvwgk opened on May 23, 2025

• Clarify ωB97X dispersion parameters

  parameters
  dftd3/simple-dftd3#143 · Filter by author awvwgk opened on May 23, 2025
  4

• Add tutorial on how to use 3c methods

  documentation
  dftd3/simple-dftd3#125 · Filter by author awvwgk opened on Nov 30, 2024
  

• Support for D2 dispersion model

  enhancement
  dftd3/simple-dftd3#121 · Filter by author awvwgk opened on Nov 25, 2024