Skip to content

Release 2.0.0
Compare
Choose a tag to compare
@reiher-research-group reiher-research-group released this 12 May 07:03
· 2 commits to master since this release
2.0.0
8042bfb

Changes:

  • Cleaving graphs always returns Cleave object including ComponentMap
  • Changed C++ standard from C++14 to C++17
  • BondStereopermutator update on atom deletion
  • Dependency handling for Boost versions >1.70
  • BondStereoPermutator determination on eta bonds
  • Nitrogen thermalization in cyclic systems
  • Feasible stereopermutations consistency between serialization and deserialization
  • The gradient target for the conformer optimization is now passed correctly
Assets 2
Loading