pyrho
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Update versions of tools in pre-commit config to latest versions.
Bumps [pytest](https://github.com/pytest-dev/pytest) from 7.1.2 to 8.2.0. Release notes Sourced from pytest's releases. 8.2.0 pytest 8.2.0 (2024-04-27) Deprecations #12069: A deprecation warning is now raised when implementations of one of the...
Bumps [pytest-cov](https://github.com/pytest-dev/pytest-cov) from 3.0.0 to 5.0.0. Changelog Sourced from pytest-cov's changelog. 5.0.0 (2024-03-24) Removed support for xdist rsync (now deprecated). Contributed by Matthias Reichenbach in [#623](https://github.com/pytest-dev/pytest-cov/issues/623) <https://github.com/pytest-dev/pytest-cov/pull/623>_. Switched docs theme...
For an arbitrary crystal structure and an arbitrary Miller plane (e.g. 110), integrate the density across the polygon that's bounded within the unit cell.
Bumps [pytest](https://github.com/pytest-dev/pytest) from 7.1.2 to 8.2.1. Release notes Sourced from pytest's releases. 8.2.1 pytest 8.2.1 (2024-05-19) Improvements #12334: Support for Python 3.13 (beta1 at the time of writing). Bug Fixes...
Small fix to allow `python=3.12` compatibility, as `pkg_resources` has now been fully deprecated: https://github.com/mu-editor/mu/issues/2485 ## Contributor Checklist - [ ] I have broken down my PR scope into the following...
Bumps [ipython](https://github.com/ipython/ipython) from 8.4.0 to 8.18.1. Commits 49914f9 release 8.18.1 e1c4eef Pin prompt_toolkit to 3.0.41+ (#14257) 965f989 Pin prompt_toolkit to 3.0.41+ c293abc back to dev 928881c release 8.18.0 4897500 whats...
### Problem The Materials Project shows a [specific example](https://next-gen.materialsproject.org/ml/charge_densities) of using PyRho to re-grid charge density data for Silicon. It references PyRho as support for this example, but I can't...
Bumps [numpydoc](https://github.com/numpy/numpydoc) from 1.6.0 to 1.8.0. Commits 819ea4e Designate 1.8.0 release df11972 Bump version ec75b72 Designate 1.8.0rc2 release aeb6812 MAINT: Remove scale to work around PyPI bug (#578) 18d278c Bump...