v1.3.0
Changelog:
Bugfixes (code)
- Resolved issue with entropy calculation for very high temperatures (#172)
- Fixed the calculation of the type "B" kinetic energy density (#173)
Bugfixes (other - test suite, CI, etc.)
- Fixed and updated broken CASUS mirror (#170)
New features and improvements (code)
- Added
E_kin
andE_en
attributes toEnergyAlt
class (#174) - Added more options for pressure calculations in
postprocess.Pressure
module (#175) - Added
check_orbs
function tostaticKS.Orbitals
to check that the requested number of orbitals is sufficient (#176)
New features and improvements (other - test suite, CI, etc.)
- Added codecov to github actions (#169)
- Updated CI actions and environments to latest versions (#171)
Full Changelog: v1.2.0...v1.3.0