Releases: qcscine/serenity_wrapper
Releases · qcscine/serenity_wrapper
Release 3.1.0
Release 3.0.0
Changes:
- Update Serenity to version 1.5.2
- Add basic unittests based on the Python3 package
- Update address in license
Release 2.0.0
Changes:
- Update calculator interface
- Allow to specify the pressure for thermochemical calculations
Release 1.0.1
Changes:
- Various bugfixes and improvements
Release 1.0.0
- Interfaces Serenity v1.4.0
- Exports DFT, HF, CC, and DLPNO-CC capabilities