JaGeo LobsterPy issues - Githubissues

JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

https://jageo.github.io/LobsterPy/

BSD 3-Clause "New" or "Revised" License

70 stars 27 forks source link

issues

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Bump sphinx-toolbox from 3.6.0 to 3.7.0

#313 dependabot[bot] opened 1 week ago
0
pre-commit autoupdate

#312 pre-commit-ci[bot] opened 2 weeks ago
3
Bump myst-nb from 1.1.0 to 1.1.1

#311 dependabot[bot] closed 2 weeks ago
0
Bump sphinx-toolbox from 3.5.0 to 3.6.0

#310 dependabot[bot] closed 2 weeks ago
0
Update numpy requirement from <2.0.0 to <3.0.0

#309 dependabot[bot] closed 2 weeks ago
1
Fractional occupancies.

#308 hongyi-zhao opened 2 weeks ago
5
clarify kpoints requirements and limitations with input sets

#307 naik-aakash closed 2 weeks ago
1
Some quesitons on the lobster_basis used by this package.

#306 hongyi-zhao opened 2 weeks ago
16
Explicitly use `agg` backend to avoid OS inconsistency

#305 DanielYang59 closed 2 weeks ago
2
My confusion on different basis sets involved in one lobster computation.

#304 hongyi-zhao opened 3 weeks ago
12
Do we really need very large kpoint grid density to do the vasp computation in order to do the further lobster computation?

#303 hongyi-zhao closed 3 weeks ago
5
Update readme

#302 naik-aakash closed 3 weeks ago
3
[Bug] NumPy 2.x breaks CI tests

#301 DanielYang59 closed 2 weeks ago
5
Update orbitalwise analysis

#300 naik-aakash closed 2 weeks ago
5
Fix warnings

#299 naik-aakash closed 3 weeks ago
2
Bump sphinx-book-theme from 1.1.2 to 1.1.3

#298 dependabot[bot] closed 4 weeks ago
0
[CI] `test_cli` failed on MacOS due to different `matplotlib` rounding precision

#297 DanielYang59 closed 2 weeks ago
4
Bump mendeleev from 0.16.2 to 0.17.0

#296 dependabot[bot] closed 1 month ago
0
Developers installation out of date

#295 JaGeo closed 3 weeks ago
7
pre-commit autoupdate

#294 pre-commit-ci[bot] closed 1 month ago
1
import of `typing` causing issues for down stream installs

#293 jmmshn closed 1 month ago
12
Bump sphinx-design from 0.5.0 to 0.6.0

#292 dependabot[bot] closed 1 month ago
0
Bump mendeleev from 0.16.1 to 0.16.2

#291 dependabot[bot] closed 1 month ago
0
Bump mendeleev from 0.16.0 to 0.16.1

#290 dependabot[bot] closed 1 month ago
0
pre-commit autoupdate

#289 pre-commit-ci[bot] closed 2 months ago
1
Bump mendeleev from 0.15.0 to 0.16.0

#288 dependabot[bot] closed 2 months ago
0
Fix warnings for flake8 pre-commit CI

#287 naik-aakash closed 3 weeks ago
0
Update python-publish.yml

#286 JaGeo closed 2 months ago
0
Update CHANGELOG.md

#285 JaGeo closed 2 months ago
0
Update pyproject.toml

#284 JaGeo opened 2 months ago
1
Edge features from LobsterNeighbors

#283 kaueltzen opened 2 months ago
0
Python 3.12 support

#282 JaGeo closed 2 months ago
7
Update sphinx requirement from <6,>=5 to >=5,<8

#281 dependabot[bot] closed 2 months ago
0
Update CHANGELOG.md

#280 JaGeo closed 2 months ago
0
Update pyproject.toml

#279 JaGeo closed 2 months ago
0
Tests for multi-center bonding plotting features

#278 JaGeo opened 2 months ago
0
Add preliminary support multicobi

#277 JaGeo closed 2 months ago
1
Update CHANGELOG.md

#276 JaGeo closed 2 months ago
0
Update pyproject.toml

#275 JaGeo closed 2 months ago
0
Bump myst-nb from 1.0.0 to 1.1.0

#274 dependabot[bot] closed 3 months ago
0
Update pymatgen version

#273 JaGeo closed 3 months ago
1
Update to latest pymatgen

#272 JaGeo opened 3 months ago
1
indicate python versions correctly.

#271 JaGeo closed 3 months ago
0
pre-commit autoupdate

#270 pre-commit-ci[bot] closed 3 months ago
1
Speed up installation

#269 JaGeo opened 3 months ago
0
add code of conduct

#268 naik-aakash closed 3 months ago
2
Update README.md

#267 JaGeo closed 3 months ago
1
Update README.md

#266 JaGeo closed 3 months ago
0
fix automatic plotting for large structures

#265 JaGeo closed 3 months ago
1
Code of conduct

#264 JaGeo closed 3 months ago
2