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Commits on Oct 16, 2019

• Migrate NebCalculation and NebParser to aiida-core==1.0.0 (aiidateam#381)

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Commits on May 24, 2019

• Move fastentrypoints.py to utils/ and add it to MANIFEST.in (aiidateam#318)

  

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Commits on May 16, 2019

• Remove workaround for protocol validation in PwBandStructureWorkChain (aiidateam#315)

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Commits on May 13, 2019

• Add unit test for DosParser (aiidateam#305)

  

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Commits on May 11, 2019

• Parser tests: move input files into 'input' folder.

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• Migrate ProjwfcCalculation, ProjwfcParser; add CLI launcher for projwfc.

  

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Commits on May 10, 2019

• Fix bug NamelistCalculation._get_following_text and clean-up (aiidateam#293)

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Commits on May 8, 2019

• Bump version to v3.0.0a2 (aiidateam#285)

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• Migrate Pw2Wannier90Calculation and Pw2Wannier90Parser

  

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• Clean up NamelistsCalculation and DosCalculation

  

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Commits on May 7, 2019

• NamelistsCalculation: make inputs 'parameters' and 'settings' optional (aiidateam#277)

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Commits on May 6, 2019

• Add SSSP 1.1 to PW protocol (aiidateam#275)

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Commits on May 3, 2019

• Improvements for PwBandStructureWorkChain process spec (aiidateam#274)

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Commits on May 1, 2019

• Update PwBandStructureWorkChain to the latest aiida-core. (aiidateam#272)

  

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Commits on Apr 24, 2019

• Migrate NamelistsCalculation, DosCalculation, DosParser; create dos launcher script. (aiidateam#263)

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Commits on Apr 16, 2019

• apply python-modernize (conservatively) [5]

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• apply python-modernize (conservatively) [4]

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• apply python-modernize (conservatively) [3]

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• apply python-modernize (conservatively) [2]

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• apply python-modernize (conservatively) [1]

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• Fix pw example

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• Fix: don't modify dict while iterating over its keys.

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Commits on Apr 15, 2019

• Apply aiida-plugin-migrator to the repo

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Commits on Apr 10, 2019

• Docs: add tentative policy for QE version support.

  

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• Update xmlschema to 1.0.6 and improve XML parsing

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Commits on Dec 3, 2018

• PwRelaxWorkChain: make output_structure a required output. (aiidateam#219)

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• BaseRestartWorkChain: fix error handlers not being loaded during instance load. (aiidateam#218)

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Commits on Nov 20, 2018

• In md/relax, if only one cell is printed in the text output, replicate it as necessary (aiidateam#208)

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Commits on Apr 26, 2018

• PW parser: fix mismatched argument name

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