Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / arosen93/quacc issues and pull requests
#329 - Improve robustness of `quacc.util.slabs.make_adsorbate_structures` for bridge/hollow sites
Issue -
State: open - Opened by arosen93 over 1 year ago
Labels: enhancement
#328 - Remaining 0.1.0 updates
Pull Request -
State: open - Opened by arosen93 over 1 year ago
- 1 comment
#327 - Increase test coverage
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
#326 - remove unused imports
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#325 - Create improved schemas for vib and thermo jobs
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
#324 - Sourcery AI fixes
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#323 - Sourcery refactored main branch
Pull Request -
State: closed - Opened by sourcery-ai[bot] over 1 year ago
#322 - Sourcery refactored develop branch
Pull Request -
State: closed - Opened by sourcery-ai[bot] over 1 year ago
#321 - Sourcery refactored main branch
Pull Request -
State: closed - Opened by sourcery-ai[bot] over 1 year ago
#320 - Bump furo from 2023.03.27 to 2023.5.20
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#319 - Bump maggma from 0.50.4 to 0.51.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#318 - Run Sourcery AI to refactor
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
#317 - Improve DB handling
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#316 - Clarify README and docs
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#315 - merge collapsible `if` statements
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#314 - Update Python version badge
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation
#313 - Covalent UI fixes
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#312 - Covalent UI is not accessible
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: bug
#311 - Covalent updates
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#310 - Update `.gitignore`
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#309 - Fix license description on README
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation
#308 - Prep for Quacc 0.1.0
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
#307 - Scan `.git` for large files
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: housekeeping
#306 - Clarify the output schemas with improved docstrings
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation, housekeeping
#305 - format code with black, prettier and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#304 - format code with black, prettier and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#303 - format code with black, prettier and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#302 - Clean up API Reference section of docs
Issue -
State: open - Opened by arosen93 over 1 year ago
Labels: documentation
#301 - format code with black, prettier and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#300 - format code with black, prettier and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#299 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#298 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#297 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#296 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#295 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#294 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#293 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#292 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#291 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#290 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#289 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#288 - Add new options to `settings.py`
Issue -
State: open - Opened by arosen93 over 1 year ago
Labels: enhancement
#287 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#286 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#285 - remove unnecessary f-string
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#284 - remove unused imports
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#283 - remove commented out code
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#282 - remove redundant `None` default
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#281 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#280 - Bump custodian from 2023.5.7 to 2023.5.12
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#279 - format code with prettier, black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#278 - Fix spotty Covalent errors in parallel runs
Issue -
State: open - Opened by arosen93 over 1 year ago
- 1 comment
Labels: bug
#277 - cclib task document is missing the `molecule` field
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: bug
#276 - Clarify the entries that are in each task document from `summarize_run`
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation
#275 - Bump sphinx from 6.2.1 to 7.0.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
- 1 comment
Labels: dependencies
#274 - Bump emmet-core from 0.55.0 to 0.55.2
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
- 1 comment
Labels: dependencies
#273 - Speed up GitHub actions
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping, help-wanted
#272 - Bump emmet-core from 0.55.0 to 0.55.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#271 - If `scratch_dir` does not exist on the filesystem when using `run_calc`, `run_ase_opt`, or `run_ase_vib`, QuAcc crashes
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: bug
#270 - Fix mypy issues for more accurate typehinting
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: wontfix, housekeeping
#269 - Make data types for summaries
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping
#268 - Bump emmet-core from 0.54.5 to 0.55.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#267 - Bump custodian from 2023.5.7 to 2023.5.12
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#266 - Bump emmet-core from 0.54.4 to 0.54.5
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
- 1 comment
Labels: dependencies
#265 - Bump pymatgen from 2023.5.8 to 2023.5.10
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#264 - Bump emmet-core from 0.54.3 to 0.54.4
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#263 - Bump emmet-core from 0.54.2 to 0.54.3
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#262 - Bump pymatgen from 2023.3.23 to 2023.5.8
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#261 - Bump monty from 2023.4.10 to 2023.5.8
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#260 - Bump custodian from 2023.3.10 to 2023.5.7
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#259 - Bump emmet-core from 0.54.1 to 0.54.2
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#258 - format code with black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#257 - format code with black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#256 - Add support for sella
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: enhancement
#255 - Bump ipython from 8.13.1 to 8.13.2
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#254 - Bump emmet-core from 0.53.0 to 0.54.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#253 - Bump sphinx from 6.2.1 to 7.0.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
- 2 comments
Labels: dependencies
#252 - Bump ipython from 8.13.0 to 8.13.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#251 - Bump emmet-core from 0.52.1 to 0.53.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#250 - Fix PyPI release system
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: housekeeping, help-wanted
#249 - Bump ipython from 8.12.0 to 8.13.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#248 - Bump sphinx from 6.2.0 to 6.2.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#247 - Bump emmet-core from 0.52.0 to 0.52.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#246 - Bump sphinx from 6.1.3 to 6.2.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#245 - [WIP] Update Quacc to v0.1.0
Pull Request -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation, enhancement, dependencies, housekeeping
#244 - Standardize QuAcc vs. Quacc vs. quacc
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping
#243 - Bump emmet-core from 0.51.13 to 0.52.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#242 - Generalize Quacc to work with Covalent in addition to Jobflow+FireWorks
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: enhancement
#241 - Bump pytest from 7.3.0 to 7.3.1
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#240 - Add ML optimization algos
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: enhancement, wontfix
#239 - Bump emmet-core from 0.51.12 to 0.51.13
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#238 - Clean up docs
Issue -
State: closed - Opened by arosen93 over 1 year ago
Labels: documentation
#237 - Bump emmet-core from 0.51.11 to 0.51.12
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#236 - Format code with black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#235 - Format code with black and isort
Pull Request -
State: closed - Opened by deepsource-autofix[bot] over 1 year ago
#234 - Bump pytest from 7.2.2 to 7.3.0
Pull Request -
State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#233 - Occasional trajectory decoding error
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: bug, cant-reproduce
#232 - The license and code of conduct are duplicated
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: wontfix, housekeeping
#231 - Fix contributors page
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: housekeeping
#230 - Discrepancy in `xtb-python` vibrational modes
Issue -
State: closed - Opened by arosen93 over 1 year ago
- 1 comment
Labels: bug