Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / JaGeo/LobsterPy issues and pull requests

#365 - Update ChangeLog

Pull Request - State: closed - Opened by naik-aakash about 1 month ago

#364 - Fix dependencies

Pull Request - State: closed - Opened by naik-aakash about 1 month ago

#363 - Update pyproject.toml

Pull Request - State: closed - Opened by JaGeo about 1 month ago - 1 comment

#362 - prepare release

Pull Request - State: closed - Opened by JaGeo about 1 month ago - 1 comment

#361 - Fix codecov failure

Pull Request - State: closed - Opened by naik-aakash about 1 month ago - 1 comment

#360 - Fix codecov failure

Issue - State: closed - Opened by naik-aakash about 1 month ago

#359 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 month ago - 1 comment

#358 - Bump mendeleev from 0.20.0 to 0.20.1

Pull Request - State: closed - Opened by dependabot[bot] about 1 month ago
Labels: dependencies

#357 - Cli updates

Pull Request - State: closed - Opened by naik-aakash about 2 months ago - 6 comments
Labels: enhancement

#356 - Bump mendeleev from 0.19.0 to 0.20.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago
Labels: dependencies

#354 - Update test durations file

Pull Request - State: closed - Opened by github-actions[bot] about 2 months ago

#353 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#352 - fix artifacts version inconsistency

Pull Request - State: closed - Opened by naik-aakash 3 months ago

#351 - Update test durations file

Pull Request - State: closed - Opened by github-actions[bot] 3 months ago

#350 - Misc ci updates

Pull Request - State: closed - Opened by naik-aakash 3 months ago - 1 comment

#349 - `matplotlib` use non-interactive agg backend

Pull Request - State: closed - Opened by DanielYang59 3 months ago - 6 comments

#348 - lobster workflow failed due to NBANDS change

Issue - State: closed - Opened by yuan-gist 3 months ago - 4 comments

#347 - Bump mendeleev from 0.18.1 to 0.19.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago
Labels: dependencies

#346 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago - 1 comment

#345 - Update README.md

Pull Request - State: closed - Opened by JaGeo 4 months ago - 1 comment

#344 - Option to plot BWDF and coloured icoxx distance plots via CLI

Issue - State: closed - Opened by naik-aakash 4 months ago
Labels: enhancement

#343 - Enhance icoxxlist plotter

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 4 comments
Labels: enhancement

#342 - pin min pymatgen version > lobster 5.0/5.1 support

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 1 comment
Labels: enhancement

#341 - Ci updates

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 1 comment

#340 - Update get struct path

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 1 comment

#339 - Bump sphinx-toolbox from 3.8.0 to 3.8.1

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#338 - Bump mendeleev from 0.17.0 to 0.18.1

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#337 - Update get_structure_path method to also check for "POSCAR.lobster.vasp"

Issue - State: closed - Opened by naik-aakash 4 months ago
Labels: enhancement

#336 - ICOHPLIST.lobster format changed in lobster 5.1.1

Issue - State: closed - Opened by yumaoDFT 5 months ago - 5 comments

#335 - Bump myst-nb from 1.1.1 to 1.1.2

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#334 - Update CHANGELOG.md

Pull Request - State: closed - Opened by JaGeo 5 months ago - 1 comment

#333 - Fix the path of lobsterenv.py.

Pull Request - State: closed - Opened by hongyi-zhao 5 months ago - 1 comment

#332 - Remove redundant coverage uploads and fix coverage reports

Pull Request - State: closed - Opened by naik-aakash 5 months ago - 1 comment

#331 - Update calc quality and fingerprints usage

Pull Request - State: closed - Opened by naik-aakash 5 months ago - 8 comments
Labels: bug

#330 - Add new functions/methods to featurize module

Pull Request - State: closed - Opened by naik-aakash 5 months ago - 17 comments
Labels: enhancement

#329 - Update featurizer module with more options

Issue - State: closed - Opened by naik-aakash 5 months ago
Labels: enhancement

#328 - Option to save raw plot data of relevant (I)COXX

Issue - State: closed - Opened by naik-aakash 6 months ago
Labels: enhancement

#326 - Bump sphinx-toolbox from 3.7.0 to 3.8.0

Pull Request - State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies

#325 - Calc quality analysis needs to be updated

Issue - State: closed - Opened by naik-aakash 6 months ago - 4 comments
Labels: bug

#324 - Bump sphinx-design from 0.6.0 to 0.6.1

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies

#323 - Update sphinx requirement from <8,>=5 to >=5,<9

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies

#322 - change python version from 3.9 to 3.10 in docs generation

Pull Request - State: closed - Opened by naik-aakash 7 months ago

#321 - Fix unexpected "DOSCAR.LSO.lobster" exception in cli

Pull Request - State: closed - Opened by naik-aakash 7 months ago - 2 comments

#320 - fix outdated cli tutorial code snippets

Pull Request - State: closed - Opened by naik-aakash 7 months ago

#319 - Failed to run `Command line interface` tutorial.

Issue - State: closed - Opened by hongyi-zhao 7 months ago - 9 comments

#316 - Bump sphinx-argparse from 0.4.0 to 0.5.2

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago - 3 comments
Labels: dependencies

#315 - Move to src layout

Pull Request - State: closed - Opened by naik-aakash 7 months ago - 2 comments

#314 - CI Updates

Pull Request - State: closed - Opened by naik-aakash 7 months ago

#313 - Bump sphinx-toolbox from 3.6.0 to 3.7.0

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies

#312 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 8 months ago - 4 comments

#311 - Bump myst-nb from 1.1.0 to 1.1.1

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies

#310 - Bump sphinx-toolbox from 3.5.0 to 3.6.0

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies

#309 - Update numpy requirement from <2.0.0 to <3.0.0

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago - 1 comment
Labels: dependencies

#308 - Fractional occupancies.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 6 comments

#307 - clarify kpoints requirements and limitations with input sets

Pull Request - State: closed - Opened by naik-aakash 8 months ago - 1 comment

#306 - Some quesitons on the lobster_basis used by this package.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 17 comments

#305 - Explicitly use `agg` backend to avoid OS inconsistency

Pull Request - State: closed - Opened by DanielYang59 8 months ago - 2 comments

#304 - My confusion on different basis sets involved in one lobster computation.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 13 comments

#302 - Update readme

Pull Request - State: closed - Opened by naik-aakash 8 months ago - 3 comments

#301 - [Bug] NumPy 2.x breaks CI tests

Issue - State: closed - Opened by DanielYang59 8 months ago - 5 comments

#300 - Update orbitalwise analysis

Pull Request - State: closed - Opened by naik-aakash 8 months ago - 5 comments

#299 - Fix warnings

Pull Request - State: closed - Opened by naik-aakash 8 months ago - 2 comments

#298 - Bump sphinx-book-theme from 1.1.2 to 1.1.3

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies

#296 - Bump mendeleev from 0.16.2 to 0.17.0

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies

#295 - Developers installation out of date

Issue - State: closed - Opened by JaGeo 8 months ago - 7 comments

#294 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 9 months ago - 1 comment

#293 - import of `typing` causing issues for down stream installs

Issue - State: closed - Opened by jmmshn 9 months ago - 12 comments

#292 - Bump sphinx-design from 0.5.0 to 0.6.0

Pull Request - State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies

#291 - Bump mendeleev from 0.16.1 to 0.16.2

Pull Request - State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies

#290 - Bump mendeleev from 0.16.0 to 0.16.1

Pull Request - State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies

#289 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 10 months ago - 1 comment

#288 - Bump mendeleev from 0.15.0 to 0.16.0

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies

#287 - Fix warnings for flake8 pre-commit CI

Issue - State: closed - Opened by naik-aakash 10 months ago

#286 - Update python-publish.yml

Pull Request - State: closed - Opened by JaGeo 10 months ago

#285 - Update CHANGELOG.md

Pull Request - State: closed - Opened by JaGeo 10 months ago

#284 - Update pyproject.toml

Pull Request - State: closed - Opened by JaGeo 10 months ago - 1 comment

#283 - Edge features from LobsterNeighbors

Issue - State: open - Opened by kaueltzen 10 months ago
Labels: enhancement

#282 - Python 3.12 support

Pull Request - State: closed - Opened by JaGeo 10 months ago - 7 comments

#281 - Update sphinx requirement from <6,>=5 to >=5,<8

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies

#280 - Update CHANGELOG.md

Pull Request - State: closed - Opened by JaGeo 10 months ago

#279 - Update pyproject.toml

Pull Request - State: closed - Opened by JaGeo 10 months ago

#278 - Tests for multi-center bonding plotting features

Issue - State: open - Opened by JaGeo 10 months ago

#277 - Add preliminary support multicobi

Pull Request - State: closed - Opened by JaGeo 10 months ago - 1 comment

#276 - Update CHANGELOG.md

Pull Request - State: closed - Opened by JaGeo 10 months ago

#275 - Update pyproject.toml

Pull Request - State: closed - Opened by JaGeo 10 months ago

#274 - Bump myst-nb from 1.0.0 to 1.1.0

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies

#273 - Update pymatgen version

Pull Request - State: closed - Opened by JaGeo 10 months ago - 1 comment

#272 - Update to latest pymatgen

Pull Request - State: closed - Opened by JaGeo 10 months ago - 1 comment

#271 - indicate python versions correctly.

Pull Request - State: closed - Opened by JaGeo 11 months ago

#270 - pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 11 months ago - 1 comment

#269 - Speed up installation

Issue - State: closed - Opened by JaGeo 11 months ago

#268 - add code of conduct

Pull Request - State: closed - Opened by naik-aakash 11 months ago - 2 comments

#267 - Update README.md

Pull Request - State: closed - Opened by JaGeo 11 months ago - 1 comment

#266 - Update README.md

Pull Request - State: closed - Opened by JaGeo 11 months ago

#265 - fix automatic plotting for large structures

Pull Request - State: closed - Opened by JaGeo 11 months ago - 1 comment

#264 - Code of conduct

Issue - State: closed - Opened by JaGeo 11 months ago - 2 comments