Skip to content

Version 1.2

Compare
Choose a tag to compare
@davidbowler davidbowler released this 04 Aug 09:29
· 241 commits to master since this release
912bef9

This release includes a number of new features, along with bug fixes and code polishing, and updates to the manual.

  • Implementation of the modern theory of polarisation (using Resta’s formulation for large unit cells)
  • Implementation of atom-projected DOS (as a post-processing step)
  • Initial version of test suite (for continuous integration)
  • Initial version of ASE compatibility (to be merged into main ASE release soon)