0.9.14

What's Changed

• Add calphy by @srmnitc in #153
• Add qe by @srmnitc in #154
• Add repeat by @srmnitc in #157
• Inherit defect related triples when operations are performed on the structure by @srmnitc in #159
• Add plot3d by @srmnitc in #162
• Clarify GB repeat by @srmnitc in #163
• Fix pyiron gb by @srmnitc in #164

Full Changelog: 0.9.7...0.9.14

0.9.7

What's Changed

• Parse descriptions by @srmnitc in #133
• Fix ci by @srmnitc in #134
• fix covera in hcp by @srmnitc in #141
• Track lattice constant by @srmnitc in #143
• add aimsgb by @srmnitc in #144
• Add purge by @srmnitc in #145

Full Changelog: 0.9.2...0.9.7

0.9.2

What's Changed

• Restructure query operators by @srmnitc in #132

Full Changelog: 0.9.1...0.9.2

0.9.1

What's Changed

• Add angle to ldo by @srmnitc in #131

Full Changelog: 0.9.0...0.9.1

0.9.0

What's Changed

• Fix query by @srmnitc in #127
• update jobdict by @srmnitc in #128
• Update data readin by @srmnitc in #129
• Add disl triples by @srmnitc in #130

Full Changelog: 0.8.13...0.9.0

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