Releases: pyscal/atomRDF
Releases · pyscal/atomRDF
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
0.9.2
0.9.1
0.9.0
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
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