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@mgamigo mgamigo released this 01 Oct 12:52
· 2 commits to main since this release

馃摝 Module-Specific Updates

utils

  • kernel_density now supports broader shapes of inputs, also alowing to compute the density over different components in single run.

spectrum

  • _Has_lattice class now also has volume attribute.

grep

  • stress_tensor greps final stress in relaxations.
  • symmetries now excludes QE XML lattice_symmetry entries, returning only crystal symmetry operations.