0.8.13

What's Changed

• Update shear by @srmnitc in #123
• Handle array outputs by @srmnitc in #124
• Add qha model by @srmnitc in #125
• Modify shear by @srmnitc in #126

Full Changelog: 0.8.10...0.8.13

0.8.10

What's Changed

• Fix poscar by @srmnitc in #114
• Switch label by @srmnitc in #115
• String sample names allowed by @srmnitc in #116
• Update element lists by @srmnitc in #117
• Add labels for defects by @srmnitc in #118
• Query modifications by @srmnitc in #119
• Fix octahedral sites by @srmnitc in #120
• Change has value by @srmnitc in #121
• Add more operations by @srmnitc in #122

Full Changelog: 0.8.1...0.8.10

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

0.6.4

What's Changed

• Update query by @srmnitc in #95
• Fix unarchive by @srmnitc in #96
• Make df optional by @srmnitc in #97
• Allow repeat nodes by @srmnitc in #98

Full Changelog: 0.6.0...0.6.4

0.6.0

What's Changed

• update parsing by @srmnitc in #83
• Strict triple checking by @srmnitc in #84
• Check domain and range by @srmnitc in #85
• Reorder triples by @srmnitc in #86
• Make read smooth by @srmnitc in #87
• Add atomman by @srmnitc in #88
• Further revamp workflows by @srmnitc in #90
• Maintain run by @srmnitc in #91
• Add docs by @srmnitc in #92
• Fix 89 by @srmnitc in #93
• reset hcp angles by @srmnitc in #94

Full Changelog: 0.4.4...0.6.0

0.4.4

Release to update Zenodo record

Full Changelog: 0.4.0...0.4.4

0.4.0

What's Changed

• Fix delete bug by @srmnitc in #73
• Relax requirements by @srmnitc in #74
• change name defs by @srmnitc in #75
• Improved workflow annotation by @srmnitc in #76
• Add substitutional impurity by @srmnitc in #78
• Add interstitial by @srmnitc in #79
• Change name by @srmnitc in #82

Full Changelog: 0.2.5...0.4.0

0.2.5

What's Changed

• update delete method to modify files by @srmnitc in #71

Full Changelog: 0.2.3...0.2.5

0.2.3

What's Changed

• Close 65 by @srmnitc in #66
• Refactor code by @srmnitc in #68
• Update vis by @srmnitc in #69
• Add point defect example by @aazocar in #70

New Contributors

• @aazocar made their first contribution in #70

Full Changelog: 0.1.7...0.2.3

0.1.7

What's Changed

• Revert "Switch to toml" by @srmnitc in #63

Full Changelog: 0.1.6...0.1.7