Skip to content

cclib-v1.6.4
Compare
Choose a tag to compare
@langner langner released this 21 Oct 00:53
· 1694 commits to master since this release
v1.6.4
00c421f

Summary of changes since last version

  • [GSOC2020] New methods: Bader's QTAIM, Bickelhaupt, Stockholder, Hirshfeld, and DDEC6 partial charges (Minsik Cho)
  • [GSOC2020] New bridge to Horton (Minsik Cho)
  • New bridge to Atomic Simulation Environment (Felipe S. S. Schneider)
  • New bridge to PySCF (Amanda Dumi)
  • Other minor improvements and bug fixes, see changelog for details
Assets 4