Skip to content

bonds, symmetry and flexible file paths
Compare
Choose a tag to compare
@SimonEnsemble SimonEnsemble released this 10 Dec 22:45
· 336 commits to master since this release
v1.0.0
5fc9a85
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Learn about vigilant mode.
  • infer bonds on Framework
  • read in symmetry information from .cif files in non-P1 symmetry
  • more flexible file paths for where you store your data
  • equation of state code unified across vdw and PREOS EOS
  • Langmuir adsorption model fitting
Assets 2
Loading