Thanks to visit codestin.com
Credit goes to github.com

Skip to content

cclib-v1.8.1

Latest
Latest
Compare
Choose a tag to compare
@github-actions github-actions released this 18 Mar 16:51
· 921 commits to master since this release
v1.8.1
This tag was signed with the committer’s verified signature.
berquist Eric Berquist
GPG key ID: BAFD205D5FA2B329
Verified
Learn about vigilant mode.
07260dd
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Verified
Learn about vigilant mode.

Summary of changes since last version

  • New parser: xTB
  • Support parsing number of CPUs and memory used for Gaussian, ORCA, and Turbomole
  • New attributes for the NBO parser
  • Tested support for Python 3.8 through 3.11
  • Many developer-facing improvement and several fixes, see changelog for details
Assets 6
Loading