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Releases: lsmo-epfl/aiida-lsmo

aiida-lsmo v1.0.0

08 Sep 20:36
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  • Adapt the cp2k parsers to the new aiida-cp2k (1.1.0) package (#38)
  • Fix similar-cells check for the SimAnnealing work chain.
  • Fix block_pocket key check in sim_annealing work chain.
  • Fix zero-potential issue in the ForceFieldBuilder.

Release v1.0.0b2

16 Apr 19:54
af5e894
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Release v1.0.0b2 Pre-release
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Improvements & fixes:

  • Expose zeopp inputs in ZeoppMultistageDdecWorkChain (c0ed0c2)
  • Add tests using aiida testing (fc80cde)
  • Switch tests to GitHub actions (8b172f9)
  • Fix manifest to add .yaml and .rad files to the distribution (#35)

v1.0.0b1

26 Feb 16:28
3724a6b
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v1.0.0b1 Pre-release
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Release for CURATED-COFs February 2020 update.