zincware/massband: v0.1.5
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| Natura: | Recurso digital |
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Zenodo
2025
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| _version_ | 1866901410619064320 |
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| author | Fabian Zills |
| author_facet | Fabian Zills |
| contents | <h2>What's Changed</h2> <ul> <li>ROG computation by @PythonFZ in https://github.com/zincware/massband/pull/2</li> <li>Rot-diff by @PythonFZ in https://github.com/zincware/massband/pull/4</li> <li>Nernst Einstein Ionic Conductivity by @PythonFZ in https://github.com/zincware/massband/pull/5</li> <li>Create dataloader.py by @PythonFZ in https://github.com/zincware/massband/pull/8</li> <li>more generic loader interface by @PythonFZ in https://github.com/zincware/massband/pull/10</li> <li>dataloader for IndependentBatchedLoader by @PythonFZ in https://github.com/zincware/massband/pull/11</li> <li>fix memory/non-memory consistency in dataloader tests by @PythonFZ in https://github.com/zincware/massband/pull/14</li> <li>All velocity dataloader by @PythonFZ in https://github.com/zincware/massband/pull/15</li> <li>Coordination-number-analysis by @PythonFZ in https://github.com/zincware/massband/pull/16</li> <li>Potential of mean force by @PythonFZ in https://github.com/zincware/massband/pull/17</li> <li>substructure RDF code by @PythonFZ in https://github.com/zincware/massband/pull/18</li> <li>add <code>LoadIOFile</code> by @PythonFZ in https://github.com/zincware/massband/pull/22</li> </ul> <h2>New Contributors</h2> <ul> <li>@PythonFZ made their first contribution in https://github.com/zincware/massband/pull/2</li> </ul> <p><strong>Full Changelog</strong>: https://github.com/zincware/massband/commits/v0.1.5</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_17832863 |
| institution | Zenodo |
| language | |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | zincware/massband: v0.1.5 Fabian Zills <h2>What's Changed</h2> <ul> <li>ROG computation by @PythonFZ in https://github.com/zincware/massband/pull/2</li> <li>Rot-diff by @PythonFZ in https://github.com/zincware/massband/pull/4</li> <li>Nernst Einstein Ionic Conductivity by @PythonFZ in https://github.com/zincware/massband/pull/5</li> <li>Create dataloader.py by @PythonFZ in https://github.com/zincware/massband/pull/8</li> <li>more generic loader interface by @PythonFZ in https://github.com/zincware/massband/pull/10</li> <li>dataloader for IndependentBatchedLoader by @PythonFZ in https://github.com/zincware/massband/pull/11</li> <li>fix memory/non-memory consistency in dataloader tests by @PythonFZ in https://github.com/zincware/massband/pull/14</li> <li>All velocity dataloader by @PythonFZ in https://github.com/zincware/massband/pull/15</li> <li>Coordination-number-analysis by @PythonFZ in https://github.com/zincware/massband/pull/16</li> <li>Potential of mean force by @PythonFZ in https://github.com/zincware/massband/pull/17</li> <li>substructure RDF code by @PythonFZ in https://github.com/zincware/massband/pull/18</li> <li>add <code>LoadIOFile</code> by @PythonFZ in https://github.com/zincware/massband/pull/22</li> </ul> <h2>New Contributors</h2> <ul> <li>@PythonFZ made their first contribution in https://github.com/zincware/massband/pull/2</li> </ul> <p><strong>Full Changelog</strong>: https://github.com/zincware/massband/commits/v0.1.5</p> |
| title | zincware/massband: v0.1.5 |
| url | https://doi.org/10.5281/zenodo.17832863 |