Skip to content

v1.0.0
Compare
Choose a tag to compare
@ireaml ireaml released this 22 Aug 09:54
· 978 commits to main since this release
v1.0.0
8a6db97

Release with final module architecture of the code.

Main changes from release v0.1:

  • Refactoring of input.apply_shakenbreak() function to a class input.Distortions, which has now methods to write input files for all supported codes (VASP, FHI-aims, CP2K, Quantum Espresso & CASTEP)
  • CLI functionality
  • Tailed-off rattle set to default rattle (instead of full rattle)
  • Add docs and update README
Assets 2
Loading