Issues

• Spin Spin Coupling can result in "cannot reshape array" if not all atoms are included in the coupling

  pyscf/properties#14 · Filter by author oliver-s-lee opened on Jun 10, 2026
  1

• issue with einsum_path from numpy

  pyscf/properties#12 · Filter by author lionelalexandre opened on Mar 10, 2026
  2

• ValueError in g-tensor calculation

  pyscf/properties#11 · Filter by author 1234zou opened on Mar 6, 2026
  3

• Make new release?

  pyscf/properties#10 · Filter by author berquist opened on Apr 26, 2025

• Unit of IR intensity

  pyscf/properties#9 · Filter by author KimayaPanchal opened on Feb 1, 2025

• Overlap matrix S(B) of perturbation-dependent atomic orbitals

  pyscf/properties#6 · Filter by author cyberturist opened on Jul 21, 2024
  1

• About the implementation of SSC

  pyscf/properties#2 · Filter by author DanielBajac opened on May 5, 2022