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matador
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
https://matador-db.readthedocs.io
MIT License
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19
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Build(deps): update nglview requirement from ~=3.0 to ~=3.1
#347
dependabot[bot]
opened
8 months ago
0
Build(deps): update jinja2 requirement from ~=3.1.2 to ~=3.1.3
#346
dependabot[bot]
opened
8 months ago
0
Build(deps): update scipy requirement from ~=1.7 to ~=1.12
#345
dependabot[bot]
opened
8 months ago
0
Build(deps): bump codecov/codecov-action from 3 to 4
#344
dependabot[bot]
opened
8 months ago
0
Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.6
#343
dependabot[bot]
opened
9 months ago
0
Build(deps): bump actions/setup-python from 4 to 5
#342
dependabot[bot]
opened
9 months ago
0
Build(deps): bump actions/checkout from 3 to 4
#341
dependabot[bot]
opened
10 months ago
0
Add support for pymongo 4
#340
ml-evs
closed
11 months ago
0
Build(deps): update pymongo requirement from ~=3.11 to ~=4.6
#339
dependabot[bot]
opened
11 months ago
0
Build(deps): update seekpath requirement from ~=2.0 to ~=2.1
#338
dependabot[bot]
opened
11 months ago
0
Build(deps): update pytest-cov requirement from ~=4.0 to ~=4.1
#337
dependabot[bot]
opened
11 months ago
0
Build(deps): update tqdm requirement from ~=4.62 to ~=4.66
#336
dependabot[bot]
opened
11 months ago
0
Build(deps): update requests requirement from ~=2.28 to ~=2.31
#335
dependabot[bot]
opened
11 months ago
0
Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.5
#334
dependabot[bot]
closed
9 months ago
1
Build(deps): update scipy requirement from ~=1.7 to ~=1.11
#333
dependabot[bot]
closed
8 months ago
1
Build(deps): update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.9
#332
dependabot[bot]
opened
11 months ago
0
Build(deps): update networkx requirement from ~=2.6 to ~=3.2
#331
dependabot[bot]
opened
11 months ago
0
Build(deps): update nbsphinx requirement from ~=0.8 to ~=0.9
#330
dependabot[bot]
opened
11 months ago
0
Build(deps): update numpy requirement from <1.24,>=1.22 to >=1.22,<1.27
#329
dependabot[bot]
opened
11 months ago
0
Refresh some dependencies for the 21st century
#328
ml-evs
closed
11 months ago
0
Unpin dependencies entirely
#327
ml-evs
opened
11 months ago
0
Update chemical potential for temperature dependent convex hulls
#326
JPDarby
opened
11 months ago
0
Additional tweaks to magres plotting
#325
ml-evs
opened
11 months ago
0
Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.1
#324
dependabot[bot]
closed
11 months ago
1
Build(deps): update sphinx-rtd-theme requirement from ~=1.0 to ~=1.2
#323
dependabot[bot]
closed
11 months ago
1
Build(deps): update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.8
#322
dependabot[bot]
closed
11 months ago
1
Build(deps): update nbval requirement from ~=0.9 to ~=0.10
#321
dependabot[bot]
closed
11 months ago
1
Build(deps): update scipy requirement from ~=1.7 to ~=1.10
#320
dependabot[bot]
closed
11 months ago
1
Build(deps): update networkx requirement from ~=2.6 to ~=3.0
#319
dependabot[bot]
closed
11 months ago
1
Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.0
#318
dependabot[bot]
closed
1 year ago
1
Build(deps): update pymatgen requirement from <2023,>=2022 to >=2022,<2024
#317
dependabot[bot]
closed
11 months ago
1
Suggestion: Colour plots by property
#316
benedictsaunders
opened
1 year ago
1
Scrape constrained and normal forces separately from CASTEP files
#315
JordD04
closed
1 year ago
0
Automate release procedure in CI
#314
ml-evs
opened
1 year ago
0
v0.10.1 release prep
#313
ml-evs
closed
1 year ago
0
Scrape constrained and normal stress tensors separately from CASTEP files
#312
JordD04
closed
1 year ago
0
Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=2.21
#311
dependabot[bot]
closed
1 year ago
2
Build(deps): update sphinx-argparse requirement from ~=0.3 to ~=0.4
#310
dependabot[bot]
closed
11 months ago
2
Build(deps): update sphinx-rtd-theme requirement from ~=1.0 to ~=1.1
#309
dependabot[bot]
closed
1 year ago
2
Scrape magres EFG into `Site` objects
#308
harpaf13
closed
1 year ago
1
Fix flake8 URL in pre-commit CI
#307
ml-evs
closed
1 year ago
0
Support `continuation` and `magres_restart` in magres workflows
#306
harpaf13
closed
1 year ago
1
v0.10.0 release
#305
ml-evs
closed
1 year ago
1
Update ipykernel requirement from ~=6.15 to ~=6.16
#304
dependabot[bot]
closed
1 year ago
2
Update coverage requirement from ~=6.4 to ~=6.5
#303
dependabot[bot]
closed
1 year ago
2
Update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.7
#302
dependabot[bot]
closed
1 year ago
1
Update sphinx requirement from ~=5.2 to ~=5.3
#301
dependabot[bot]
closed
1 year ago
2
Update pymongo requirement from ~=3.11 to ~=4.3
#300
dependabot[bot]
closed
11 months ago
1
Update pytest requirement from ~=7.1 to ~=7.2
#299
dependabot[bot]
closed
1 year ago
2
Update dependencies
#298
ml-evs
closed
1 year ago
0
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