Issues

• Issue with density fitting in Skala in GPU4PySCF

  microsoft/skala#135 · Filter by author Astro111000 opened on Sep 3, 2026

• TPSS TorchScript backward fails on sm_120 with “too many resources requested for launch”

  microsoft/skala#132 · Filter by author JensWehner opened on Sep 1, 2026

• SkalaUKS does not converge to spin-symmetry-broken solutions; PBE-UKS converges from the same initial guess

  microsoft/skala#113 · Filter by author xieziren opened on Aug 14, 2026
  2

• Unconstrained e3nn dependency allows a broken install (import fails under e3nn 0.4.4 + torch >= 2.6)

  microsoft/skala#109 · Filter by author xieziren opened on Aug 14, 2026
  1

• Document usage of Skala in C++

  documentation
  microsoft/skala#91 · Filter by author awvwgk opened on Jul 15, 2026
  1

• Type checking fails due to new version of numpy

  bug
  microsoft/skala#83 · Filter by author awvwgk opened on Jun 23, 2026
  4

  

• Newer versions of GPU4PySCF break the nuclear gradient implementation

  microsoft/skala#80 · Filter by author kjh-giesbertz opened on Jun 17, 2026
  1

• Document usage in CP2K

  documentation
  microsoft/skala#74 · Filter by author awvwgk opened on May 19, 2026