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Published December 12, 2023 | Version v1.0.0b5
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nanotech-empa/aiida-nanotech-empa: v1.0.0b5

Description

What's Changed

  • Fix/Tb by @cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/144
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/147
  • Update aiida-qe plugin to ~=4.4 by @yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/142
  • Fix/elpa daint gpu by @cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/149
  • use absolute value for convergence wrt CV increment by @cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/150
  • fixed minimum number of nodes by @cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/148
  • Improve the compatibility check of available WFN for the UKS case by @yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/151
  • Temporary set the withmpi option to True for the stm and overlap calculations by @yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/152

Full Changelog: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b4...v1.0.0b5

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nanotech-empa/aiida-nanotech-empa-v1.0.0b5.zip

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