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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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Potential issue with change in monty deserialization
#879
gpetretto
closed
9 months ago
2
Nested elasticity summary fix
#878
munrojm
closed
9 months ago
1
Fix new elasticity sub field in summary
#877
munrojm
closed
9 months ago
1
Generic HF calc type
#876
jmmshn
closed
9 months ago
1
Automated dependency upgrades
#875
tschaume
closed
9 months ago
1
Add `summary_stats` attr to `emmet.core.vasp.calculation.PotcarSpec`
#874
esoteric-ephemera
closed
9 months ago
2
Fix `TaskDoc.from_directory` when `dir_name != "."`
#873
esoteric-ephemera
closed
9 months ago
1
[Feature Request]: Better handling of parsed trajectory in VASP calculations
#872
gpetretto
opened
10 months ago
4
Automated dependency upgrades
#871
tschaume
closed
10 months ago
1
Automated dependency upgrades
#870
tschaume
closed
10 months ago
1
Add `run_ddec6` option to `Calculation.from_vasp_files`
#869
janosh
closed
9 months ago
10
Fix incar handling in elasticity
#868
munrojm
closed
10 months ago
1
[Feature Request]: Add missing `py.typed` file
#867
Andrew-S-Rosen
opened
10 months ago
0
Fix PyPI missing project description
#866
janosh
closed
10 months ago
0
Fix NSCF line mode task type iden
#865
munrojm
closed
10 months ago
1
`_parse_additional_json` ignore `FW.json(.gz)`
#864
janosh
closed
10 months ago
1
Add 3 missing `Optional`s for `EmmetMeta` fields
#863
janosh
closed
10 months ago
3
Replace deprecated `pkg_resources` with `importlib.metadata.version`
#862
janosh
closed
10 months ago
2
Automated dependency upgrades
#861
tschaume
closed
10 months ago
1
Automated dependency upgrades
#860
tschaume
closed
10 months ago
0
Fix density validator
#859
munrojm
closed
10 months ago
0
Fix search stats query op
#858
munrojm
closed
10 months ago
1
`MoleculeMetadata` set model config `allow='extra'`
#857
janosh
closed
10 months ago
3
Automated dependency upgrades
#856
tschaume
closed
10 months ago
0
Automated dependency upgrades
#855
tschaume
closed
10 months ago
1
Automated dependency upgrades
#854
tschaume
closed
10 months ago
1
Fix `TaskDoc.set_entry`
#853
janosh
closed
10 months ago
3
Split ml deps into new option
#852
munrojm
closed
10 months ago
0
Automated dependency upgrades
#851
tschaume
closed
10 months ago
0
Automated dependency upgrades
#850
tschaume
closed
10 months ago
0
Automated dependency upgrades
#849
tschaume
closed
10 months ago
0
Enable querying based on license data in builder meta
#848
munrojm
closed
10 months ago
1
Bug when parsing LDA pseudopotential
#847
Andrew-S-Rosen
opened
10 months ago
0
Automated dependency upgrades
#846
tschaume
closed
10 months ago
1
Automated dependency upgrades
#845
tschaume
closed
10 months ago
1
Automated dependency upgrades
#844
tschaume
closed
10 months ago
1
Automated dependency upgrades
#843
tschaume
closed
10 months ago
0
Automated dependency upgrades
#842
tschaume
closed
10 months ago
1
Automated dependency upgrades
#841
tschaume
closed
10 months ago
1
[Idea]: User-friendly access to properties
#840
davidwaroquiers
opened
10 months ago
7
Fix `pymatgen` breaking change: `PotcarSingle.get_potcar_hash` renamed to `md5_header_hash`
#839
janosh
closed
10 months ago
8
Remove PyObject pydantic type from model type hints
#838
munrojm
closed
11 months ago
1
Remove the pymatgen<=2023.9.10 version pin from `emmet-core`
#837
Andrew-S-Rosen
closed
10 months ago
3
Small pydantic related bug fixes and linting
#836
munrojm
closed
11 months ago
1
Automated dependency upgrades
#835
tschaume
closed
11 months ago
1
Automated dependency upgrades
#834
tschaume
closed
11 months ago
0
Automated dependency upgrades
#833
tschaume
closed
11 months ago
1
Automated dependency upgrades
#832
tschaume
closed
11 months ago
0
Automated dependency upgrades
#831
tschaume
closed
11 months ago
1
Automated dependency upgrades
#830
tschaume
closed
11 months ago
0
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