Releases: nomad-coe/nomad-schema-plugin-simulation-workflow
Releases · nomad-coe/nomad-schema-plugin-simulation-workflow
v1.0.11
v1.0.10
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
v1.0.8
What's Changed
Major changes
Minor changes
Patches
- added support for dissipative particle dynamics thermostat in MD params in #45
Full Changelog: v1.0.7...v1.0.8
v1.0.7
What's Changed
Major changes
Minor changes
Patches
- 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
v1.0.5
What's Changed
Major changes
Minor changes
Patches
- bumped dev dependencies in #32
Full Changelog: v1.0.4...v1.0.5
publish to Zenodo ext
Merge pull request #31 from nomad-coe/add_Luca_to_authors added Luca and Nathan to authors
publish to Zenodo
Merge pull request #29 from nomad-coe/add-zenodo-doi added zenodo doi
extend MD method schema
- added support for shear-flow MD parameters