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Releases: nomad-coe/nomad-schema-plugin-simulation-workflow

v1.0.11

30 Oct 14:24
b2b5473

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Full Changelog: v1.0.10...v1.0.11

v1.0.10

03 Jun 11:26
6e5e0d6

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What's Changed

  • specify dependency version of bandstructurenormalizer and systemnormalizer by @JFRudzinski in #53
  • fix randomized selection of molecules in msd calculator, MD normalizer by @JFRudzinski in #53

Full Changelog: v1.0.9...v1.0.10

v1.0.9

17 Mar 13:24
7efb650

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Full Changelog: v1.0.8...v1.0.9

v1.0.8

20 Feb 12:54
467355f

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  • added support for dissipative particle dynamics thermostat in MD params in #45

Full Changelog: v1.0.7...v1.0.8

v1.0.7

04 Feb 15:59
46e5b96

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  • another refinement of MDAnalysis versions in #42
  • improved checks for calculating rdfs and msds during MD normalization in #44

Full Changelog: v1.0.6...v1.0.7

v1.0.6

13 Dec 16:20
3a3365d

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  • update to MDAnalysis versions in #36 and #41
  • fixed hompage typo in toml in #35
  • further fix/bump of dependencies in #40

Full Changelog: v1.0.5...v1.0.6

v1.0.5

19 Nov 08:18
7018a7d

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  • bumped dev dependencies in #32

Full Changelog: v1.0.4...v1.0.5

publish to Zenodo ext

27 Sep 15:00
2f2d0b1

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Merge pull request #31 from nomad-coe/add_Luca_to_authors

added Luca and Nathan to authors

publish to Zenodo

26 Sep 15:46
817a91d

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Merge pull request #29 from nomad-coe/add-zenodo-doi

added zenodo doi

extend MD method schema

26 Sep 15:20
78c23cf

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  • added support for shear-flow MD parameters