Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / vasp-dev/py4vasp issues and pull requests
#168 - Suggestion
Issue -
State: open - Opened by billcsu 3 months ago
#167 - Bump urllib3 from 2.2.1 to 2.2.2
Pull Request -
State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies
#166 - Fix orbital moments
Pull Request -
State: open - Opened by martin-schlipf 4 months ago
#165 - rename OSZICAR to electronic_minimization
Issue -
State: open - Opened by martin-schlipf 4 months ago
#164 - Hide input files from API for 1.0 release
Issue -
State: open - Opened by martin-schlipf 4 months ago
#163 - Hide input files
Pull Request -
State: open - Opened by martin-schlipf 4 months ago
#162 - Structure does not send the right elements list
Pull Request -
State: closed - Opened by sudarshanv01 4 months ago
#161 - Bump requests from 2.31.0 to 2.32.2
Pull Request -
State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies
#160 - Bump tornado from 6.4 to 6.4.1
Pull Request -
State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies
#159 - Feat: input files in calculation module
Pull Request -
State: closed - Opened by martin-schlipf 4 months ago
#158 - STM settings as warg to the to_stm method of the PartialCharge class
Pull Request -
State: closed - Opened by MichaelWolloch 4 months ago
#157 - feat: support Python3.12
Pull Request -
State: closed - Opened by martin-schlipf 5 months ago
#156 - ci: update actions and Python version
Pull Request -
State: closed - Opened by martin-schlipf 5 months ago
#155 - Implement Contour plots
Issue -
State: closed - Opened by martin-schlipf 5 months ago
- 1 comment
#154 - Improve to_converged
Pull Request -
State: closed - Opened by sudarshanv01 5 months ago
#153 - Small README update
Pull Request -
State: closed - Opened by Shibu778 6 months ago
- 1 comment
#152 - Bump idna from 3.6 to 3.7
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies
#151 - Error while doing poetry run pytest
Issue -
State: closed - Opened by Shibu778 6 months ago
- 3 comments
#150 - update readme
Pull Request -
State: closed - Opened by Shibu778 6 months ago
- 2 comments
#149 - Bump black from 23.3.0 to 24.3.0 in /core
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies
#148 - Bump black from 23.3.0 to 24.3.0
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies
#147 - Bump pillow from 10.2.0 to 10.3.0
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies
#146 - Implement contour and quiver plots for densities
Pull Request -
State: closed - Opened by martin-schlipf 6 months ago
- 1 comment
#145 - Prepare for release of version 0.9
Pull Request -
State: closed - Opened by martin-schlipf 6 months ago
#144 - Partial charges and stm
Pull Request -
State: closed - Opened by MichaelWolloch 7 months ago
#143 - structure plot function not work
Issue -
State: open - Opened by tuheihei 7 months ago
- 5 comments
#142 - Feat: clearer separation of View logic some refinement code
Pull Request -
State: closed - Opened by martin-schlipf 7 months ago
#141 - Update pyproject.toml - add mdtraj dependency
Pull Request -
State: closed - Opened by janpriessnitz 7 months ago
- 2 comments
#140 - Doc: fix typo
Pull Request -
State: closed - Opened by martin-schlipf 8 months ago
#139 - Rename data package to calculation
Pull Request -
State: closed - Opened by martin-schlipf 8 months ago
#138 - Fixes to Potential and Scale
Pull Request -
State: closed - Opened by sudarshanv01 8 months ago
#137 - Bump pillow from 10.0.1 to 10.2.0
Pull Request -
State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies
#136 - Feat: Add OSZICAR information to HDF5
Pull Request -
State: closed - Opened by sudarshanv01 8 months ago
#135 - Bump jinja2 from 3.1.2 to 3.1.3
Pull Request -
State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies
#134 - Bump fonttools from 4.40.0 to 4.43.0
Pull Request -
State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies
#133 - Decide on Fermi energy for DOS and Band
Issue -
State: open - Opened by martin-schlipf 9 months ago
#132 - OSZICAR data in the HDF5 file and access to it with py4vasp
Issue -
State: closed - Opened by martin-schlipf 9 months ago
#131 - Check if the calculation converged (both electronic and ionic convergence)
Issue -
State: open - Opened by martin-schlipf 9 months ago
#130 - Revisit index of dataframe for Band
Issue -
State: open - Opened by martin-schlipf 9 months ago
#129 - Set a default height for the graph, expose width and height to the user
Issue -
State: open - Opened by martin-schlipf 9 months ago
#128 - Rewrite of the viewer logic
Issue -
State: closed - Opened by martin-schlipf 9 months ago
#127 - Clean API and update documentation
Issue -
State: open - Opened by martin-schlipf 9 months ago
#126 - Change behaviour of bool and complex in VaspData
Issue -
State: open - Opened by martin-schlipf 9 months ago
#125 - Check read() for consistency
Issue -
State: open - Opened by martin-schlipf 9 months ago
- 1 comment
#124 - Error in importing MLFFErrorAnalysis from py4vasp
Issue -
State: open - Opened by ParasPatel87 9 months ago
- 1 comment
#123 - fix: plotting of potential
Pull Request -
State: closed - Opened by martin-schlipf 10 months ago
#122 - Orbital moments does not have s component
Issue -
State: open - Opened by martin-schlipf 10 months ago
#121 - Format numbers in plots
Pull Request -
State: closed - Opened by martin-schlipf 10 months ago
#120 - Plotting ncl densities
Pull Request -
State: closed - Opened by mt-huebsch 10 months ago
#118 - Update dependencies
Pull Request -
State: closed - Opened by martin-schlipf 10 months ago
#117 - Bump urllib3 from 2.0.6 to 2.0.7
Pull Request -
State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies
#116 - Fix for schema for potential
Pull Request -
State: closed - Opened by sudarshanv01 12 months ago
#115 - Bump pillow from 9.5.0 to 10.0.1
Pull Request -
State: closed - Opened by dependabot[bot] 12 months ago
Labels: dependencies
#114 - Workshop fixes
Pull Request -
State: closed - Opened by sudarshanv01 12 months ago
- 1 comment
#113 - Bump urllib3 from 2.0.5 to 2.0.6
Pull Request -
State: closed - Opened by dependabot[bot] almost 1 year ago
Labels: dependencies
#112 - prerelease: update version number for workshop
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#111 - Fix: make cell and structure backwards compatible
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#110 - feat: implement reading of the potential
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#109 - fix: potential issues with version numbers and dataloading
Pull Request -
State: closed - Opened by sudarshanv01 about 1 year ago
- 1 comment
#108 - feat: create direct interface to force-field error analysis
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#107 - Update dependencies due to security warning
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#106 - Provide additional functionality to deal with structures in py4vasp
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#105 - Add pre-commit files
Pull Request -
State: closed - Opened by sudarshanv01 about 1 year ago
#104 - Fix development dependencies
Pull Request -
State: closed - Opened by sudarshanv01 about 1 year ago
#103 - Add to_csv and to_frame
Pull Request -
State: closed - Opened by sudarshanv01 about 1 year ago
#102 - Ci: update github workflows
Pull Request -
State: closed - Opened by martin-schlipf about 1 year ago
#101 - Add docstring to internal_strain.to_dict
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#100 - Fix schema to limit access
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#99 - Schema should not be modifiable
Issue -
State: closed - Opened by martin-schlipf over 1 year ago
#98 - Access bandgap of VASP
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#97 - Orbital moments
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#96 - Implement minimal py4vasp-core package
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#95 - Fix creating Structure.from_POSCAR
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#94 - Close stale issues
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#93 - Allow addition and subtraction in selection strings
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#92 - Style of DOS curves
Issue -
State: closed - Opened by billcsu over 1 year ago
- 3 comments
Labels: stale
#91 - Why is there no magnetism
Issue -
State: closed - Opened by billcsu over 1 year ago
- 3 comments
Labels: stale
#90 - Function of integration of DOS
Issue -
State: closed - Opened by billcsu over 1 year ago
- 5 comments
Labels: stale
#89 - search help about py4vasp on Mac jupyter
Issue -
State: closed - Opened by billcsu over 1 year ago
- 5 comments
Labels: stale
#88 - Limit ipython version to keep compatibility for Python 3.8
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#87 - Projector selections
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#86 - Fix density
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#85 - Supercell magnetism
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#84 - Remove dead code
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#83 - Update version to 0.7.2
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#82 - Security fixes
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#81 - Fix nglview dependency
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#80 - fix typos
Pull Request -
State: closed - Opened by e-kwsm over 1 year ago
- 2 comments
#79 - Release version 0.7.1
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#78 - Test multiple python versions
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#77 - Release py4vasp version 0.7
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#76 - Pass default selection to wrapped routine
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#75 - Fix installation action
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#74 - Installation action
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#73 - Fix topology error with duplicate ions
Pull Request -
State: closed - Opened by martin-schlipf over 1 year ago
#72 - Error is reported when "from py4vasp import Calculation" in jupyter
Issue -
State: closed - Opened by xinliang-huang over 1 year ago
- 3 comments
Labels: stale
#71 - Improve docmentation format
Pull Request -
State: closed - Opened by martin-schlipf almost 2 years ago
#70 - Add logic to access ion velocities
Pull Request -
State: closed - Opened by martin-schlipf almost 2 years ago
#69 - Update documentation
Pull Request -
State: closed - Opened by martin-schlipf almost 2 years ago
#68 - Multiple dielectric function
Pull Request -
State: closed - Opened by martin-schlipf almost 2 years ago