Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / gemdat-repos/gemdat issues and pull requests
#334 - Update README.md
Pull Request -
State: closed - Opened by stefsmeets about 2 months ago
#333 - example notebooks broken - plots backend option
Issue -
State: closed - Opened by tfamprikis about 2 months ago
- 6 comments
#332 - Fix coverage badge
Pull Request -
State: closed - Opened by stefsmeets 2 months ago
#331 - Fix shaded rendering for msd plot
Pull Request -
State: closed - Opened by stefsmeets 2 months ago
#330 - Add GROMACS support
Pull Request -
State: closed - Opened by AstyLavrinenko 2 months ago
- 1 comment
#329 - MSD plot
Issue -
State: closed - Opened by AstyLavrinenko 2 months ago
- 11 comments
#328 - Statistical average activation energy for edges in jump network
Issue -
State: open - Opened by stefsmeets 4 months ago
#327 - Add LAMMPS trajectory reader
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#326 - Add option to switch between plotting backends
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#325 - Add method to create a graph from jumps
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
- 1 comment
#324 - Add plotly plot for shape
Pull Request -
State: closed - Opened by SCiarella 4 months ago
- 3 comments
#323 - Add warning for multiple paths
Pull Request -
State: closed - Opened by SCiarella 4 months ago
#322 - Approach to percolation with networkx graphs
Issue -
State: closed - Opened by SCiarella 4 months ago
- 1 comment
#321 - Fix ruff config
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#320 - Fix rdf plotly test
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#319 - Make backend for plots user configurable
Issue -
State: closed - Opened by stefsmeets 4 months ago
#318 - Add shortcut for calculating and plotting RDFs
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#317 - Move to ruff for autoformatting
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#316 - Move legacy.py out of main library
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#315 - Add plotly plot for shape analysis
Issue -
State: closed - Opened by stefsmeets 4 months ago
#314 - Move legacy.py to scipts
Issue -
State: closed - Opened by stefsmeets 4 months ago
#313 - Add plotly plots
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
- 2 comments
#312 - Tests are failing
Issue -
State: closed - Opened by stefsmeets 4 months ago
- 2 comments
#311 - Replace yapf and nbqa by ruff for formatting
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#310 - Housekeeping
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#309 - Add option to show shaded area for std
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#308 - Update captions for plots
Pull Request -
State: closed - Opened by stefsmeets 4 months ago
#307 - Orientational sites
Pull Request -
State: open - Opened by SCiarella 5 months ago
- 1 comment
#306 - Return molecule trajectory from Orientations
Issue -
State: open - Opened by stefsmeets 5 months ago
#305 - Refactor Pathway class
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
- 2 comments
#304 - Add zenodo link and how to cite
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
#303 - Update Orientations api
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
- 1 comment
#302 - More plotly plots
Issue -
State: closed - Opened by stefsmeets 5 months ago
- 1 comment
#301 - Tweak method names and update default dimensions
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
#300 - Revise shaded areas for plots
Issue -
State: closed - Opened by stefsmeets 5 months ago
#299 - Update captions to all plots
Issue -
State: closed - Opened by stefsmeets 5 months ago
- 2 comments
#298 - Add citation / zenodo link to readme
Issue -
State: closed - Opened by stefsmeets 5 months ago
#297 - Rename 'mean squared angular displacement' to 'autocorrelation' everywhere
Issue -
State: closed - Opened by SCiarella 5 months ago
- 2 comments
#296 - Streamline Orientations api
Issue -
State: closed - Opened by stefsmeets 5 months ago
- 1 comment
#295 - Fix broken publish action
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
#294 - Update actions versions
Pull Request -
State: closed - Opened by stefsmeets 5 months ago
#293 - Fix Orientations IO
Pull Request -
State: closed - Opened by SCiarella 6 months ago
- 2 comments
#292 - Orientations should return Trajectories instead of np.ndarrays
Issue -
State: closed - Opened by SCiarella 6 months ago
- 2 comments
#291 - Add option to select MSD algorithm
Pull Request -
State: closed - Opened by SCiarella 6 months ago
- 6 comments
#290 - autocorrelation should use unit vectors
Issue -
State: closed - Opened by tfamprikis 6 months ago
#289 - orientations function to return non-normalized cartesian vectors
Issue -
State: closed - Opened by tfamprikis 6 months ago
- 1 comment
#288 - orientations.get_conventional_coordinates()
Issue -
State: closed - Opened by tfamprikis 6 months ago
- 2 comments
#287 - Orientations methods wrongly assume primitive-to-conventional transformation
Issue -
State: closed - Opened by tfamprikis 6 months ago
#286 - rectilinear plot
Issue -
State: closed - Opened by tfamprikis 6 months ago
- 2 comments
#285 - accelerate MSD calc.
Issue -
State: closed - Opened by tfamprikis 6 months ago
- 4 comments
#284 - Refactor 3d plots module
Pull Request -
State: closed - Opened by stefsmeets 6 months ago
#283 - Implement Haven ratio
Pull Request -
State: closed - Opened by stefsmeets 6 months ago
- 3 comments
#282 - Refactor Volume class to support multiple data types
Pull Request -
State: closed - Opened by stefsmeets 7 months ago
- 5 comments
#281 - Vesta add energy landscape to data file
Issue -
State: closed - Opened by stefsmeets 7 months ago
- 1 comment
#280 - rename all displacement_per_site to displacement_per_atom
Pull Request -
State: closed - Opened by v1kko 7 months ago
#279 - fix periodic jumps of matplotlib jumps_3d plot
Pull Request -
State: closed - Opened by v1kko 7 months ago
- 1 comment
#278 - Added some plotly plots
Pull Request -
State: closed - Opened by v1kko 7 months ago
- 1 comment
#277 - Update notebooks in documentation build
Issue -
State: closed - Opened by stefsmeets 7 months ago
- 2 comments
#276 - VESTA plots
Issue -
State: closed - Opened by SCiarella 7 months ago
- 5 comments
#275 - Path enhancements
Issue -
State: closed - Opened by SCiarella 7 months ago
- 5 comments
#274 - MSD enhancements
Issue -
State: closed - Opened by SCiarella 7 months ago
#273 - Fix displacement plot labels
Issue -
State: closed - Opened by SCiarella 7 months ago
- 3 comments
Labels: documentation
#272 - Percolation analysis through jump graph
Issue -
State: open - Opened by v9lgraf 7 months ago
- 9 comments
#271 - Finding neighbours and common neighbors for supercells
Issue -
State: open - Opened by v9lgraf 7 months ago
- 3 comments
#270 - Plotly output for notebooks might be broken (this is how to fix it)
Issue -
State: closed - Opened by v1kko 7 months ago
- 3 comments
Labels: documentation
#269 - Calculate the Haven's Ratio
Issue -
State: closed - Opened by v1kko 7 months ago
- 2 comments
#268 - Create a plot with activation energy and jumps plot as shown by victor
Issue -
State: closed - Opened by v1kko 7 months ago
- 1 comment
#267 - Advanced jumps/percolation analysis
Issue -
State: closed - Opened by v1kko 7 months ago
- 1 comment
#266 - Allow loading of cache file without vasprun.xml file
Issue -
State: closed - Opened by v1kko 7 months ago
- 4 comments
#265 - Calculate transitions with custom radii per site type
Pull Request -
State: closed - Opened by stefsmeets 7 months ago
- 10 comments
#264 - Make api more accessible, part 2
Pull Request -
State: closed - Opened by stefsmeets 7 months ago
- 1 comment
#263 - Include new notebooks in documentation
Issue -
State: closed - Opened by SCiarella 7 months ago
- 2 comments
#262 - Add straight path as method on `optimal_path()`
Issue -
State: closed - Opened by stefsmeets 7 months ago
- 2 comments
#261 - Fix docs build
Pull Request -
State: closed - Opened by stefsmeets 7 months ago
#260 - Add more plotly plots
Issue -
State: closed - Opened by stefsmeets 7 months ago
- 1 comment
#259 - Make user api more intuitive
Pull Request -
State: closed - Opened by stefsmeets 7 months ago
#258 - Multiple paths
Pull Request -
State: closed - Opened by SCiarella 7 months ago
- 1 comment
#257 - Fix documentation build
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
#256 - Small tweaks to Transitions
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
#255 - Fix RDF test
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
- 1 comment
#254 - Problem importing trajectory with newest gemdat version
Issue -
State: closed - Opened by v9lgraf 8 months ago
- 3 comments
#253 - Fix wrong `n_floating` bug
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
#252 - `.n_floating` returns the wrong number
Issue -
State: closed - Opened by stefsmeets 8 months ago
#251 - Refactor sites methods/attrs into other classes
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
- 2 comments
#250 - Turn Jumps.rates and Jumps.activation energies into dataframes
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
#249 - Use dataframes where possible
Issue -
State: closed - Opened by stefsmeets 8 months ago
#248 - Improve MSD calculation
Pull Request -
State: closed - Opened by SCiarella 8 months ago
#247 - jumps calculation: switched joined prerequisites to independent prerequisites
Pull Request -
State: closed - Opened by v1kko 8 months ago
#246 - Return structure with occupancy set as Composition
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
- 1 comment
#245 - Split time / distance constraint for jump definition
Issue -
State: closed - Opened by stefsmeets 8 months ago
#244 - Change return type for occupancy
Issue -
State: closed - Opened by stefsmeets 8 months ago
#243 - Check 3d jumps plot
Issue -
State: closed - Opened by v1kko 8 months ago
- 1 comment
Labels: bug
#242 - Add method to extend trajectory
Pull Request -
State: closed - Opened by stefsmeets 8 months ago
- 5 comments
#241 - b65577 breaks rdf plot 1, investigate
Issue -
State: closed - Opened by v1kko 8 months ago
- 4 comments
Labels: validation
#240 - SitesData contains data and functions that do not belong there
Issue -
State: closed - Opened by v1kko 8 months ago
- 2 comments
#239 - Add multiple pathfinding options
Pull Request -
State: closed - Opened by SCiarella 8 months ago
#238 - Fix number of sites by type
Pull Request -
State: closed - Opened by AstyLavrinenko 8 months ago
#237 - Use multiple starting point to compute the MSD
Issue -
State: open - Opened by SCiarella 8 months ago
- 2 comments
#237 - Use multiple starting point to compute the MSD
Issue -
State: closed - Opened by SCiarella 8 months ago
- 4 comments
#236 - Merge consecutive trajectories
Issue -
State: closed - Opened by SCiarella 8 months ago