0.8.1
What's Changed
- Add triples for impurities by @srmnitc in #99
- Further restructure workflows by @srmnitc in #100
- Sample structure can be lists by @srmnitc in #101
- Add names for samples by @srmnitc in #102
- Add sample object by @srmnitc in #103
- Add output operations by @srmnitc in #104
- Pack calculations by @srmnitc in #105
- Add vasp parser by @srmnitc in #106
- Update ontology by @srmnitc in #107
- Add qe print by @srmnitc in #108
- Change predicate hasSymbol to hasChemicalSymbol by @NinadBhat in #110
- Add sample operations by @srmnitc in #111
- Add cell operation by @srmnitc in #112
- Add mp by @srmnitc in #113
New Contributors
- @NinadBhat made their first contribution in #110
Full Changelog: 0.6.4...0.8.1