materialsproject/crystaltoolkit issues and pull requests

#349 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume over 1 year ago

#348 - No mutable class vars

Pull Request - State: closed - Opened by janosh over 1 year ago
Labels: housekeeping

#347 - Difficult to find the Export 3D object option

Issue - State: open - Opened by computron over 1 year ago - 2 comments
Labels: javascript, UI

#346 - StructureMoleculeComponent and Mobile Devices

Issue - State: closed - Opened by lantunes over 1 year ago - 2 comments
Labels: question, usability

#345 - revert the color map change from dd4f8c

Pull Request - State: closed - Opened by yang-ruoxi over 1 year ago

#344 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume over 1 year ago

#343 - fix web ctk app structure transformation due to the component switch

Pull Request - State: closed - Opened by yang-ruoxi over 1 year ago - 2 comments

#342 - Add `str`, `repr` to `StructureMoleculeComponent`

Pull Request - State: closed - Opened by janosh over 1 year ago - 1 comment
Labels: enhancement, testing, usability

#341 - Fix TypeError in Legend below Python 3.10

Pull Request - State: closed - Opened by janosh over 1 year ago
Labels: fix, qa

#340 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume over 1 year ago

#339 - Fix `StructureMoleculeComponent` legend if same element has multiple oxi states

Pull Request - State: closed - Opened by janosh over 1 year ago - 3 comments
Labels: UI, fix

#338 - Structure viewer bundles elements with different oxidation states into same legend label

Issue - State: closed - Opened by janosh over 1 year ago - 1 comment
Labels: bug, UI, usability

#337 - Add `hook_up_fig_with_struct_viewer()` kwarg `highlight_selected`

Pull Request - State: closed - Opened by janosh over 1 year ago
Labels: enhancement

#336 - add input component and update textarea component in layouts.py

Pull Request - State: closed - Opened by yang-ruoxi over 1 year ago

#335 - Fix `style` unknown prop error on `mpc.Switch`

Pull Request - State: closed - Opened by janosh almost 2 years ago

#334 - Simpler molecule graph support + performance enhancement to XRD plot

Pull Request - State: open - Opened by orionarcher almost 2 years ago - 2 comments

#333 - Drop `dash-daq`

Pull Request - State: closed - Opened by janosh almost 2 years ago - 2 comments

#332 - Prevent clashing MPComponent IDs

Pull Request - State: closed - Opened by janosh almost 2 years ago - 6 comments
Labels: python, fix, usability

#331 - Remove unreachable code in `MPComponent.id()`

Pull Request - State: closed - Opened by janosh almost 2 years ago

#330 - Less pervasive missing package warnings

Pull Request - State: closed - Opened by janosh almost 2 years ago

#329 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago

#328 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume almost 2 years ago

#327 - Add option to switch convergence graph from showing electronic to only ionic steps

Issue - State: open - Opened by janosh almost 2 years ago
Labels: enhancement, UI

#326 - Small fix for StructureMoleculeComponent

Pull Request - State: closed - Opened by gpetretto almost 2 years ago - 1 comment

#325 - Add missing core deps

Pull Request - State: closed - Opened by janosh almost 2 years ago - 11 comments

#323 - New example app: visualize structure relaxation

Pull Request - State: closed - Opened by janosh almost 2 years ago - 5 comments
Labels: docs

#321 - Fix `Arrows.bounding_box()`

Pull Request - State: closed - Opened by janosh almost 2 years ago

#320 - Add `hook_up_fig_with_ctk_struct_viewer()` to `crystal_toolkit/helpers/utils.py`

Pull Request - State: closed - Opened by janosh almost 2 years ago - 1 comment

#319 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume almost 2 years ago - 1 comment

#318 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume almost 2 years ago

#317 - Remove unused config files `.pylintrc` and `.pyup.yml`

Pull Request - State: closed - Opened by janosh almost 2 years ago

#316 - Ruff

Pull Request - State: closed - Opened by janosh almost 2 years ago - 1 comment

#315 - Add CITATION.cff

Pull Request - State: closed - Opened by janosh almost 2 years ago

#314 - Unexpected behaviour for numerical input field in firefox

Issue - State: open - Opened by gpetretto almost 2 years ago

#313 - TaskDocument Component

Pull Request - State: open - Opened by mkhorton almost 2 years ago

#312 - fix chemenv view

Pull Request - State: closed - Opened by gpetretto almost 2 years ago

#311 - Close StructureMoleculeComponent settings pane on click outside

Issue - State: open - Opened by janosh about 2 years ago - 2 comments
Labels: usability

#310 - Fix pydantic error due to future type annotation

Pull Request - State: closed - Opened by janosh about 2 years ago

#309 - Add example to interactively manipulate structure/molecule

Issue - State: open - Opened by janosh about 2 years ago - 1 comment
Labels: docs

#308 - Add broadening option to XRD plot as temporary fix for the timeout issue

Pull Request - State: closed - Opened by yang-ruoxi about 2 years ago - 1 comment

#307 - Refactored `asy` renderer and added tests

Pull Request - State: closed - Opened by jmmshn about 2 years ago - 4 comments

#306 - Configure `isort` to add future annotation imports to all files

Pull Request - State: closed - Opened by janosh about 2 years ago - 2 comments

#305 - Allow kwargs to be passed down to site

Pull Request - State: closed - Opened by jmmshn about 2 years ago - 4 comments

#304 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 years ago

#303 - Suggest adding upload progress bar or loading bar when uploading from cif

Issue - State: open - Opened by jdagdelen about 2 years ago
Labels: enhancement, UI

#302 - Change dict input and fix SubstitutionTransformationComponent

Pull Request - State: closed - Opened by gpetretto about 2 years ago - 5 comments

#301 - Horizontal dos and some bug fix

Pull Request - State: closed - Opened by gpetretto about 2 years ago - 1 comment

#300 - Initial documentation for MPApp

Pull Request - State: closed - Opened by brookwander about 2 years ago - 1 comment

#299 - Flatten dash @app.callback Input/Output/State args

Pull Request - State: closed - Opened by janosh about 2 years ago - 1 comment
Labels: housekeeping, fix

#298 - Missing comma in dash @app.callback

Issue - State: closed - Opened by janosh about 2 years ago - 1 comment
Labels: bug

#297 - Configure GitHub Codespace

Pull Request - State: closed - Opened by janosh about 2 years ago - 3 comments
Labels: docs

#296 - patch MSONable in `init.py`

Pull Request - State: closed - Opened by tschaume about 2 years ago

#295 - patch MSONable in `init.py`

Pull Request - State: closed - Opened by tschaume about 2 years ago

#294 - Fix ImportError LocalEnvironmentPanel doesn't exist

Pull Request - State: closed - Opened by janosh about 2 years ago

#293 - Incorrect geometry for slab generation

Issue - State: open - Opened by exenGT about 2 years ago

#292 - Bye poetry!

Pull Request - State: closed - Opened by tschaume about 2 years ago - 1 comment

#291 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume about 2 years ago

#290 - Automated dependency upgrades

Pull Request - State: closed - Opened by tschaume about 2 years ago - 2 comments

#289 - Investigate Brillouin zone rendering on mp-777960, point outside BZ?

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: bug

#288 - dash-extensions <= 0.1.5

Pull Request - State: closed - Opened by tschaume over 2 years ago

#287 - `docformatter`

Pull Request - State: closed - Opened by janosh over 2 years ago

#286 - Use the official uuid module

Pull Request - State: closed - Opened by ksauzz over 2 years ago - 1 comment

#285 - Improve `TEMDiffractionComponent` to use py4DSTEM

Pull Request - State: closed - Opened by sezelt over 2 years ago - 8 comments

#284 - Add Fermi surface component

Pull Request - State: closed - Opened by utf over 2 years ago - 8 comments

#283 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago

#282 - Add readme table with binder and GH links to example apps

Pull Request - State: closed - Opened by janosh over 2 years ago - 2 comments

#281 - Dash's new pattern-matching callbacks require component ids to be dictionaries

Issue - State: closed - Opened by jordanpburns over 2 years ago - 4 comments
Labels: question, design-proposal

#280 - How to save scene in jupyterlab as PNG file

Issue - State: open - Opened by mmw0909 over 2 years ago - 3 comments
Labels: question, docs

#279 - Add `apps/examples/tests/test_diffraction.py` with E2E test for basic diffraction example

Pull Request - State: closed - Opened by janosh over 2 years ago - 1 comment

#278 - StructureMoleculeComponent should use all available space in full screen mode

Issue - State: open - Opened by janosh over 2 years ago
Labels: UI

#277 - Add screen recordings to readme showcasing functionality of example Dash apps

Issue - State: open - Opened by janosh over 2 years ago
Labels: docs

#276 - First pass at bond order visualizations for molecules [WIP]

Pull Request - State: closed - Opened by rdguha1995 over 2 years ago - 4 comments

#275 - E2E testing

Pull Request - State: closed - Opened by janosh over 2 years ago - 5 comments

#274 - Add mpcontribs app

Pull Request - State: closed - Opened by brookwander over 2 years ago - 10 comments

#273 - Follow up to #272

Pull Request - State: closed - Opened by janosh over 2 years ago - 1 comment

#272 - `pre-commit` hooks

Pull Request - State: closed - Opened by janosh over 2 years ago - 1 comment

#271 - Add ability to visualize orbital projection of bands in electronic band structure plots

Issue - State: open - Opened by janosh over 2 years ago - 1 comment
Labels: enhancement

#270 - Make `dscribe` an optional dependency

Pull Request - State: closed - Opened by janosh over 2 years ago - 11 comments

#269 - Add contributor guide

Issue - State: open - Opened by janosh over 2 years ago - 2 comments
Labels: docs

#268 - Add example app `matbench_dielectric_structure_on_hover.py`

Pull Request - State: closed - Opened by janosh over 2 years ago - 12 comments

#267 - Add `MigrationGraph` Renderable

Pull Request - State: open - Opened by hmlli over 2 years ago - 7 comments

#266 - Small example app fixes

Pull Request - State: closed - Opened by janosh over 2 years ago - 2 comments

#265 - General issues

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: design-proposal

#264 - Consolidation with effort in `web` code

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: housekeeping

#263 - Expanded selection of example apps and documentation

Issue - State: open - Opened by mkhorton over 2 years ago - 2 comments
Labels: new-contributor, testing, docs

#262 - Extend support for POV-Ray rendering of charge densities

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: enhancement

#261 - Audit project dependencies

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: enhancement, help wanted

#260 - Add an MPContribs app to `crystal_toolkit.apps.examples`

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: enhancement, new-contributor

#259 - Improve `TEMDiffractionComponent` to use py4DSTEM

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: enhancement, new-contributor

#258 - `FermiSurface` component

Issue - State: closed - Opened by mkhorton over 2 years ago
Labels: new-component, new-contributor

#255 - Improve 3D molecule visualization

Issue - State: open - Opened by mkhorton over 2 years ago
Labels: enhancement, new-contributor

#254 - `MigrationGraph` component

Issue - State: open - Opened by hmlli over 2 years ago - 2 comments
Labels: new-component, new-contributor

#248 - Updates to BS and XRD components

Pull Request - State: closed - Opened by gpetretto over 2 years ago - 4 comments

#241 - Phonon band structure and DOS component

Pull Request - State: closed - Opened by munrojm over 2 years ago - 7 comments

#229 - "Edit on GitHub" links in docs broken

Issue - State: open - Opened by janosh almost 3 years ago
Labels: bug, docs

#228 - pip install fails on arm64 (M1 Mac)

Issue - State: closed - Opened by janosh almost 3 years ago - 5 comments

#222 - Long CIF edge case

Issue - State: open - Opened by janosh about 3 years ago - 6 comments
Labels: bug

#211 - Bump sphinx from 3.5.3 to 4.1.2

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

#208 - Bump ifermi from 0.2.3 to 0.3.0

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

#205 - Bump dash from 1.19.0 to 1.21.0

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

GitHub / materialsproject/crystaltoolkit issues and pull requests