2.0

Issues

• Symmetries in the supercell with Q-space symmetrization

  enhancement
  SSCHAcode/python-sscha#81 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0

• New sampling mechanisms (Sobol, Giustino)

  enhancement
  SSCHAcode/python-sscha#82 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  12

  

• More efficient calculation of the third-order force constants: 1. Not passing so often between Python and Fortran (Dorde)

  enhancement
  SSCHAcode/python-sscha#83 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  

• Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants

  SSCHAcode/python-sscha#84 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  1

  

• Cluster module with active_shell does not work when the cluster displays a banner

  bug
  SSCHAcode/python-sscha#197 · Filter by author mesonepigreco opened on Mar 13, 2024 · 2.0
  1

• Add an input validation for the cluster

  enhancement
  SSCHAcode/python-sscha#145 · Filter by author mesonepigreco opened on Jul 25, 2023 · 2.0