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materialsproject
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emmet
Be a master builder of databases of material properties. Avoid the Kragle.
https://materialsproject.github.io/emmet/
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Further triage and validation fixes
#901
esoteric-ephemera
closed
7 months ago
0
Automated dependency upgrades
#900
tschaume
closed
7 months ago
1
Fix hint scheme bug
#899
munrojm
closed
8 months ago
0
Automated dependency upgrades
#898
tschaume
closed
8 months ago
0
Add triaging to emmet core and cli
#897
esoteric-ephemera
closed
8 months ago
0
Fix elasticity endpoint key
#896
munrojm
closed
8 months ago
0
Fix has props and composition in hint
#895
munrojm
closed
8 months ago
0
Fix summary timeouts
#894
munrojm
closed
8 months ago
1
Fix `MLDoc` broken schema
#893
janosh
closed
8 months ago
0
Add new POTCAR validation to VASP validation plus tests
#892
esoteric-ephemera
closed
8 months ago
1
Cli backup expansion
#891
tsmathis
closed
8 months ago
1
[conda package] missing dependence on `custodian`
#890
mbruns91
closed
4 months ago
2
Pydantic 2.5.0 breaks `from_vasp_files`
#889
Andrew-S-Rosen
closed
8 months ago
1
Automated dependency upgrades
#888
tschaume
closed
8 months ago
1
Automated dependency upgrades
#887
tschaume
closed
8 months ago
0
Improve trajectory handling for MD
#886
gpetretto
closed
7 months ago
3
Automated dependency upgrades
#885
tschaume
closed
8 months ago
0
fix custodian import
#884
JaGeo
closed
8 months ago
2
Fix custodian json import issue
#883
JaGeo
closed
8 months ago
6
Automated dependency upgrades
#882
tschaume
closed
8 months ago
0
Add material ID query to elasticity
#881
munrojm
closed
8 months ago
1
Incorporate blessed tasks endpoint
#880
munrojm
closed
8 months ago
1
Potential issue with change in monty deserialization
#879
gpetretto
closed
8 months ago
2
Nested elasticity summary fix
#878
munrojm
closed
8 months ago
1
Fix new elasticity sub field in summary
#877
munrojm
closed
8 months ago
1
Generic HF calc type
#876
jmmshn
closed
8 months ago
1
Automated dependency upgrades
#875
tschaume
closed
8 months ago
1
Add `summary_stats` attr to `emmet.core.vasp.calculation.PotcarSpec`
#874
esoteric-ephemera
closed
8 months ago
2
Fix `TaskDoc.from_directory` when `dir_name != "."`
#873
esoteric-ephemera
closed
8 months ago
1
[Feature Request]: Better handling of parsed trajectory in VASP calculations
#872
gpetretto
opened
8 months ago
4
Automated dependency upgrades
#871
tschaume
closed
8 months ago
1
Automated dependency upgrades
#870
tschaume
closed
9 months ago
1
Add `run_ddec6` option to `Calculation.from_vasp_files`
#869
janosh
closed
8 months ago
10
Fix incar handling in elasticity
#868
munrojm
closed
9 months ago
1
[Feature Request]: Add missing `py.typed` file
#867
Andrew-S-Rosen
opened
9 months ago
0
Fix PyPI missing project description
#866
janosh
closed
9 months ago
0
Fix NSCF line mode task type iden
#865
munrojm
closed
9 months ago
1
`_parse_additional_json` ignore `FW.json(.gz)`
#864
janosh
closed
9 months ago
1
Add 3 missing `Optional`s for `EmmetMeta` fields
#863
janosh
closed
9 months ago
3
Replace deprecated `pkg_resources` with `importlib.metadata.version`
#862
janosh
closed
9 months ago
2
Automated dependency upgrades
#861
tschaume
closed
9 months ago
1
Automated dependency upgrades
#860
tschaume
closed
9 months ago
0
Fix density validator
#859
munrojm
closed
9 months ago
0
Fix search stats query op
#858
munrojm
closed
9 months ago
1
`MoleculeMetadata` set model config `allow='extra'`
#857
janosh
closed
9 months ago
3
Automated dependency upgrades
#856
tschaume
closed
9 months ago
0
Automated dependency upgrades
#855
tschaume
closed
9 months ago
1
Automated dependency upgrades
#854
tschaume
closed
9 months ago
1
Fix `TaskDoc.set_entry`
#853
janosh
closed
9 months ago
3
Split ml deps into new option
#852
munrojm
closed
9 months ago
0
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