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v1.3.0

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@timcallow timcallow released this 10 May 08:44
· 177 commits to master since this release

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 and E_en attributes to EnergyAlt class (#174)
  • Added more options for pressure calculations in postprocess.Pressure module (#175)
  • Added check_orbs function to staticKS.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