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aiida-cp2k v1.3.0
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@yakutovicha yakutovicha released this 21 Feb 22:03
v1.3.0
b98cda8
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Changes in the release:

  • Testing:
    • Move CI tests from Travis to GitHub actions (#121).
    • Add test for xyz writing (#125).
  • Inputs, outputs, parsing:
    • Advanced parser: parse integrated spin density and S-square (#118).
    • Add k-points input (#123).
    • Cp2kBaseWorkChain: store final input dictionary (#124).
  • Code improvements:
    • Improve input parameters help strings, convert strings to f-strings, remove unused resources input (#122).
    • Import material science objects through factories (#120).
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