| _version_ | 1866901559209623552 |
|---|---|
| author | Rohit Goswami |
| author_facet | Rohit Goswami |
| contents | <h2>Added</h2> <ul> <li><code>--source traj</code> support for <code>plt_neb</code> (ASE-readable trajectory files)</li> <li><code>--source hdf5</code> support for <code>plt_neb</code> (ChemGP HDF5 output)</li> <li><code>--n-inducing</code> flag for eON surface-fitting CLI (Nystrom inducing-point count)</li> <li><code>--strip-renderer</code> CLI option for selecting structure rendering backend</li> <li>Nystrom threshold, default inducing count, and <code>nystrom_paths_needed</code> exported from <code>rgpycrumbs.surfaces</code></li> </ul> <h2>Changed</h2> <ul> <li>Per-image RMSD alignment in <code>rgpycrumbs.geom</code> now runs in parallel over threads</li> </ul> <h2>Developer</h2> <ul> <li><code>versionadded</code> directives on all public API docstrings</li> <li>Expanded contributing docs: dispatcher script testing and marker requirements</li> </ul> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18752431 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | HaoZeke/rgpycrumbs: v1.2.0 Rohit Goswami <h2>Added</h2> <ul> <li><code>--source traj</code> support for <code>plt_neb</code> (ASE-readable trajectory files)</li> <li><code>--source hdf5</code> support for <code>plt_neb</code> (ChemGP HDF5 output)</li> <li><code>--n-inducing</code> flag for eON surface-fitting CLI (Nystrom inducing-point count)</li> <li><code>--strip-renderer</code> CLI option for selecting structure rendering backend</li> <li>Nystrom threshold, default inducing count, and <code>nystrom_paths_needed</code> exported from <code>rgpycrumbs.surfaces</code></li> </ul> <h2>Changed</h2> <ul> <li>Per-image RMSD alignment in <code>rgpycrumbs.geom</code> now runs in parallel over threads</li> </ul> <h2>Developer</h2> <ul> <li><code>versionadded</code> directives on all public API docstrings</li> <li>Expanded contributing docs: dispatcher script testing and marker requirements</li> </ul> |
| title | HaoZeke/rgpycrumbs: v1.2.0 |
| url | https://doi.org/10.5281/zenodo.18752431 |