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You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump pymatgen from 2024.6.10 to 2024.7.18 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420471156\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2347\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2347/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2347\">#2347</a>)"}},{"before":"0d7c2765564990f5dd44e83b96cfb2bb205b4364","after":"a1615b62023e1050adf6827f140e3c10d175debe","ref":"refs/heads/gh-pages","pushedAt":"2024-07-20T02:20:55.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Deployed 7c88b39 with MkDocs version: 1.6.0","shortMessageHtmlLink":"Deployed <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/Quantum-Accelerators/quacc/commit/7c88b39515cc4307a8481d9448b56355ba895c47/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/commit/7c88b39515cc4307a8481d9448b56355ba895c47\"><tt>7c88b39</tt></a> with MkDocs version: 1.6.0"}},{"before":"7a728db95f3b1c8b127f26d6de87e0a4f428beb8","after":null,"ref":"refs/heads/dependabot/pip/phonopy-2.26.6","pushedAt":"2024-07-20T02:20:02.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. 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You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump phonopy from 2.26.5 to 2.26.6 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420471259\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2348\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2348/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2348\">#2348</a>)"}},{"before":"09f9996379b345653610e026b5b253e31cd20fbb","after":"f0713ef89e9296f23192781f1142907c211a4c8e","ref":"refs/heads/dependabot/pip/pymatgen-2024.7.18","pushedAt":"2024-07-20T02:16:39.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"dependabot[bot]","name":null,"path":"/apps/dependabot","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/29110?s=80&v=4"},"commit":{"message":"Bump pymatgen from 2024.6.10 to 2024.7.18\n\nBumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.6.10 to 2024.7.18.\n- [Release notes](https://github.com/materialsproject/pymatgen/releases)\n- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md)\n- [Commits](https://github.com/materialsproject/pymatgen/compare/v2024.6.10...v2024.7.18)\n\n---\nupdated-dependencies:\n- dependency-name: pymatgen\n  dependency-type: direct:production\n  update-type: version-update:semver-minor\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>","shortMessageHtmlLink":"Bump pymatgen from 2024.6.10 to 2024.7.18"}},{"before":"a2fb2cfe9618238a9fbb2c3274ceec7ffeb08b06","after":"0d7c2765564990f5dd44e83b96cfb2bb205b4364","ref":"refs/heads/gh-pages","pushedAt":"2024-07-20T02:16:30.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Deployed 1a929d8 with MkDocs version: 1.6.0","shortMessageHtmlLink":"Deployed <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/Quantum-Accelerators/quacc/commit/1a929d804fd248d0993459417e3ce8f9daaa1321/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/commit/1a929d804fd248d0993459417e3ce8f9daaa1321\"><tt>1a929d8</tt></a> with MkDocs version: 1.6.0"}},{"before":"a69614f7a7b139c8ce43345961302b5db0be8344","after":"a2fb2cfe9618238a9fbb2c3274ceec7ffeb08b06","ref":"refs/heads/gh-pages","pushedAt":"2024-07-20T02:15:26.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Deployed 00d0ac9 with MkDocs version: 1.6.0","shortMessageHtmlLink":"Deployed <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/Quantum-Accelerators/quacc/commit/00d0ac9eb7c1b7429a98f5e8d2c312d70d692958/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/commit/00d0ac9eb7c1b7429a98f5e8d2c312d70d692958\"><tt>00d0ac9</tt></a> with MkDocs version: 1.6.0"}},{"before":"9bdba39b4ab2d1447ccdec2695e106273a234336","after":null,"ref":"refs/heads/dependabot/pip/parsl-monitoring--2024.7.15","pushedAt":"2024-07-20T02:15:19.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. 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You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump parsl[monitoring] from 2024.7.8 to 2024.7.15 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420470917\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2345\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2345/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2345\">#2345</a>)"}},{"before":"4af8769ac90a0ffb318bf2e40c96c1b2def162fa","after":null,"ref":"refs/heads/dependabot/pip/pymatgen-analysis-defects-2024.7.19","pushedAt":"2024-07-20T02:14:21.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. 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<a\r\nhref=\"https://github.com/dependabot\"><code>@​dependabot</code></a> in <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/191\">materialsproject/pymatgen-analysis-defects#191</a></li>\r\n<li>[pre-commit.ci] pre-commit autoupdate by <a\r\nhref=\"https://github.com/pre-commit-ci\"><code>@​pre-commit-ci</code></a>\r\nin <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/193\">materialsproject/pymatgen-analysis-defects#193</a></li>\r\n<li>Bump scikit-image from 0.22.0 to 0.23.2 by <a\r\nhref=\"https://github.com/dependabot\"><code>@​dependabot</code></a> in <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/192\">materialsproject/pymatgen-analysis-defects#192</a></li>\r\n<li>Plotly Support by <a\r\nhref=\"https://github.com/jmmshn\"><code>@​jmmshn</code></a> in <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/195\">materialsproject/pymatgen-analysis-defects#195</a></li>\r\n<li>Patch lint by <a\r\nhref=\"https://github.com/jmmshn\"><code>@​jmmshn</code></a> in <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/197\">materialsproject/pymatgen-analysis-defects#197</a></li>\r\n<li>Kumagai Correction by <a\r\nhref=\"https://github.com/jmmshn\"><code>@​jmmshn</code></a> in <a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/pull/196\">materialsproject/pymatgen-analysis-defects#196</a></li>\r\n</ul>\r\n<p><strong>Full Changelog</strong>: <a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/compare/v2024.5.11...v2024.7.18\">https://github.com/materialsproject/pymatgen-analysis-defects/compare/v2024.5.11...v2024.7.18</a></p>\r\n</blockquote>\r\n</details>\r\n<details>\r\n<summary>Commits</summary>\r\n<ul>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/a6dd8c3f2b9686fb91e35f001377678372ad49d8\"><code>a6dd8c3</code></a>\r\nvar name</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/f199f6290be52103f493552f0c65b9b056204684\"><code>f199f62</code></a>\r\nnp&lt;2</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/24b3ffd3dd85a9ad3f2bfd93199342716bbaf476\"><code>24b3ffd</code></a>\r\nbump pymatgen</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/3861b07ba93a83b1e976f871c1dc5572c6aec482\"><code>3861b07</code></a>\r\nbump pymatgen</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/a6eb836ade803070952e8ee61e0b172c639a545c\"><code>a6eb836</code></a>\r\nlint</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/553db2b246ea6a9ffe5d99f781d6cbbc08770329\"><code>553db2b</code></a>\r\nKumagai Correction (<a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/issues/196\">#196</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/a50a35bb8946d0a0c1c83595d87054d9d7cb35f0\"><code>a50a35b</code></a>\r\nPatch lint (<a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/issues/197\">#197</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/8a44d47f985da28574605e773c8e2782d32b21e3\"><code>8a44d47</code></a>\r\nPlotly Support (<a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/issues/195\">#195</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/bdd314563480abcf0ff23eb6d13ad1b852e36469\"><code>bdd3145</code></a>\r\nunlock scikit</li>\r\n<li><a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/commit/afdfbd6ccaa01deb98f00825a04c751bc3efe525\"><code>afdfbd6</code></a>\r\nBump scikit-image from 0.22.0 to 0.23.2 (<a\r\nhref=\"https://redirect.github.com/materialsproject/pymatgen-analysis-defects/issues/192\">#192</a>)</li>\r\n<li>Additional commits viewable in <a\r\nhref=\"https://github.com/materialsproject/pymatgen-analysis-defects/compare/v2024.5.11...v2024.7.19\">compare\r\nview</a></li>\r\n</ul>\r\n</details>\r\n<br />\r\n\r\n\r\n[![Dependabot compatibility\r\nscore](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=pymatgen-analysis-defects&package-manager=pip&previous-version=2024.5.11&new-version=2024.7.19)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores)\r\n\r\nDependabot will resolve any conflicts with this PR as long as you don't\r\nalter it yourself. You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump pymatgen-analysis-defects from 2024.5.11 to 2024.7.19 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420470655\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2344\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2344/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2344\">#2344</a>)"}},{"before":"0aec44d88b1023819c581510552faa3173c3cf86","after":null,"ref":"refs/heads/dependabot/pip/mace-torch-0.3.6","pushedAt":"2024-07-20T02:14:15.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"}},{"before":"295865654e841de0eed04e24cdeb2faf64e48aae","after":"073f6e57f959335a9b24aad21fa3443d3b57585b","ref":"refs/heads/main","pushedAt":"2024-07-20T02:14:14.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"},"commit":{"message":"Bump mace-torch from 0.3.5 to 0.3.6 (#2343)\n\nBumps [mace-torch](https://github.com/ACEsuit/mace) from 0.3.5 to 0.3.6.\r\n<details>\r\n<summary>Release notes</summary>\r\n<p><em>Sourced from <a\r\nhref=\"https://github.com/ACEsuit/mace/releases\">mace-torch's\r\nreleases</a>.</em></p>\r\n<blockquote>\r\n<h2>v0.3.6</h2>\r\n<h2>What's Changed</h2>\r\n<ul>\r\n<li>bugfix for stress loss by <a\r\nhref=\"https://github.com/JPDarby\"><code>@​JPDarby</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/438\">ACEsuit/mace#438</a></li>\r\n<li>change stress normalization + setup.cfg with numpy&lt;2.0 by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/467\">ACEsuit/mace#467</a></li>\r\n<li>fix universal loss stress by default by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/472\">ACEsuit/mace#472</a></li>\r\n<li>Support for schedulefree optimizer by <a\r\nhref=\"https://github.com/RokasEl\"><code>@​RokasEl</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/477\">ACEsuit/mace#477</a></li>\r\n<li>Add Command-Line Argument for Specifying Wandb Directory by <a\r\nhref=\"https://github.com/nqhq-lou\"><code>@​nqhq-lou</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/466\">ACEsuit/mace#466</a></li>\r\n<li>Add DOI badge and automated release by <a\r\nhref=\"https://github.com/ElliottKasoar\"><code>@​ElliottKasoar</code></a>\r\nin <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/404\">ACEsuit/mace#404</a></li>\r\n<li>Merge latest develop by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/480\">ACEsuit/mace#480</a></li>\r\n<li>remove DOI from badge by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/482\">ACEsuit/mace#482</a></li>\r\n<li>add finetuning to readme TOC by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/485\">ACEsuit/mace#485</a></li>\r\n<li>add support for hessian in calculator by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/486\">ACEsuit/mace#486</a></li>\r\n<li>prepare the model for hessian by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/490\">ACEsuit/mace#490</a></li>\r\n<li>BUG: Single atoms not isolated incorrectly removed from training set\r\nby <a\r\nhref=\"https://github.com/jameskermode\"><code>@​jameskermode</code></a>\r\nin <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/492\">ACEsuit/mace#492</a></li>\r\n<li>Fix bug with isolated atoms by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/493\">ACEsuit/mace#493</a></li>\r\n<li>correct pbc extension by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/506\">ACEsuit/mace#506</a></li>\r\n<li>change dynamo to optional by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/510\">ACEsuit/mace#510</a></li>\r\n<li>Simplify installation steps by <a\r\nhref=\"https://github.com/vue1999\"><code>@​vue1999</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/514\">ACEsuit/mace#514</a></li>\r\n<li>Develop by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/515\">ACEsuit/mace#515</a></li>\r\n<li>remove Literal for python &gt;3.9 by <a\r\nhref=\"https://github.com/ilyes319\"><code>@​ilyes319</code></a> in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/516\">ACEsuit/mace#516</a></li>\r\n</ul>\r\n<h2>New Contributors</h2>\r\n<ul>\r\n<li><a href=\"https://github.com/JPDarby\"><code>@​JPDarby</code></a> made\r\ntheir first contribution in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/438\">ACEsuit/mace#438</a></li>\r\n<li><a href=\"https://github.com/nqhq-lou\"><code>@​nqhq-lou</code></a>\r\nmade their first contribution in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/466\">ACEsuit/mace#466</a></li>\r\n<li><a\r\nhref=\"https://github.com/ElliottKasoar\"><code>@​ElliottKasoar</code></a>\r\nmade their first contribution in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/404\">ACEsuit/mace#404</a></li>\r\n<li><a\r\nhref=\"https://github.com/jameskermode\"><code>@​jameskermode</code></a>\r\nmade their first contribution in <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/pull/492\">ACEsuit/mace#492</a></li>\r\n</ul>\r\n<p><strong>Full Changelog</strong>: <a\r\nhref=\"https://github.com/ACEsuit/mace/compare/v0.3.5...v0.3.6\">https://github.com/ACEsuit/mace/compare/v0.3.5...v0.3.6</a></p>\r\n</blockquote>\r\n</details>\r\n<details>\r\n<summary>Commits</summary>\r\n<ul>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/2d89108d4ec27ada6ae7e63b70f79c63ed1007e7\"><code>2d89108</code></a>\r\nMerge pull request <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/issues/516\">#516</a> from\r\nACEsuit/develop</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/1700caef7dcaaaea3f6d6635ffc603e0fd52de9c\"><code>1700cae</code></a>\r\nremove Literal for python &gt;3.9</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/b6a8eb578d7eae5029b4bf30daf8ba413fbf559b\"><code>b6a8eb5</code></a>\r\nMerge pull request <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/issues/515\">#515</a> from\r\nACEsuit/develop</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/383d31c93697af9e097802cecf35de5d36d8c3cc\"><code>383d31c</code></a>\r\nMerge pull request <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/issues/514\">#514</a> from\r\nvue1999/simplify-install-steps</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/134d4aacdf26535865f908043967c397f7c29146\"><code>134d4aa</code></a>\r\nSimplify installation steps in the readme</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/9bab980b0d117a7f409ab7580ab440b195ec95eb\"><code>9bab980</code></a>\r\nreorder and rephrase installation guide</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/7e1dedc8b10773cc882ae1043cffc464422b544c\"><code>7e1dedc</code></a>\r\nremove conda install steps</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/9561e0956dc79701add7c17752ed95ee0ec7c540\"><code>9561e09</code></a>\r\nMerge pull request <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/issues/510\">#510</a> from\r\nACEsuit/develop</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/ab32e94a030a48469a21a90de7726a79d7ddd924\"><code>ab32e94</code></a>\r\nchange dynamo to optional</li>\r\n<li><a\r\nhref=\"https://github.com/ACEsuit/mace/commit/299385b4595dcdf256ae14aa69cd5d2d642eff08\"><code>299385b</code></a>\r\nMerge pull request <a\r\nhref=\"https://redirect.github.com/ACEsuit/mace/issues/506\">#506</a> from\r\nACEsuit/develop</li>\r\n<li>Additional commits viewable in <a\r\nhref=\"https://github.com/ACEsuit/mace/compare/v0.3.5...v0.3.6\">compare\r\nview</a></li>\r\n</ul>\r\n</details>\r\n<br />\r\n\r\n\r\n[![Dependabot compatibility\r\nscore](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=mace-torch&package-manager=pip&previous-version=0.3.5&new-version=0.3.6)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores)\r\n\r\nDependabot will resolve any conflicts with this PR as long as you don't\r\nalter it yourself. You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump mace-torch from 0.3.5 to 0.3.6 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420470469\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2343\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2343/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2343\">#2343</a>)"}},{"before":"c31eba66fe9da0fd4a9af714f2e22a94f5ac21ee","after":null,"ref":"refs/heads/dependabot/pip/dask-distributed--2024.7.1","pushedAt":"2024-07-20T02:13:58.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"}},{"before":"51ab685136b5b7e630c79b0cccb5f4811c9cb95d","after":"295865654e841de0eed04e24cdeb2faf64e48aae","ref":"refs/heads/main","pushedAt":"2024-07-20T02:13:57.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"},"commit":{"message":"Bump dask[distributed] from 2024.7.0 to 2024.7.1 (#2346)\n\nBumps [dask[distributed]](https://github.com/dask/dask) from 2024.7.0 to\r\n2024.7.1.\r\n<details>\r\n<summary>Release notes</summary>\r\n<p><em>Sourced from <a\r\nhref=\"https://github.com/dask/dask/releases\">dask[distributed]'s\r\nreleases</a>.</em></p>\r\n<blockquote>\r\n<h2>2024.7.1</h2>\r\n<h2>Changes</h2>\r\n<ul>\r\n<li>Remove and warn of persist usage <a\r\nhref=\"https://github.com/phofl\"><code>@​phofl</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11237\">#11237</a>)</li>\r\n<li>Preserve timestamp unit during meta creation <a\r\nhref=\"https://github.com/phofl\"><code>@​phofl</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11233\">#11233</a>)</li>\r\n<li>Ensure that dask expr DataFrames are optimized when put into delayed\r\n<a href=\"https://github.com/phofl\"><code>@​phofl</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11231\">#11231</a>)</li>\r\n<li>Fixes for <code>d</code> freq deprecation in <code>pandas=3</code>\r\n<a href=\"https://github.com/jrbourbeau\"><code>@​jrbourbeau</code></a>\r\n(<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11228\">#11228</a>)</li>\r\n<li>bump approx threshold for test_quantile <a\r\nhref=\"https://github.com/fjetter\"><code>@​fjetter</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/10720\">#10720</a>)</li>\r\n<li>Bump xarray-contrib/issue-from-pytest-log from 1.2.8 to 1.3.0 <a\r\nhref=\"https://github.com/dependabot\"><code>@​dependabot</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11221\">#11221</a>)</li>\r\n<li>Bump JamesIves/github-pages-deploy-action from 4.6.1 to 4.6.3 <a\r\nhref=\"https://github.com/dependabot\"><code>@​dependabot</code></a> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11222\">#11222</a>)</li>\r\n</ul>\r\n<p>See the <a\r\nhref=\"https://docs.dask.org/en/stable/changelog.html\">Changelog</a> for\r\nmore information.</p>\r\n</blockquote>\r\n</details>\r\n<details>\r\n<summary>Commits</summary>\r\n<ul>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/0a40ba288913ea780bbaf37ab8a04aedf8317659\"><code>0a40ba2</code></a>\r\nbump version to 2024.7.1</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/c9f3e39afab6761bc57cfb5c9ed031791212d442\"><code>c9f3e39</code></a>\r\nRemove and warn of persist usage (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11237\">#11237</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/27ce2f8ff16f797aa41f64f2080d57bfbac9e677\"><code>27ce2f8</code></a>\r\nPreserve timestamp unit during meta creation (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11233\">#11233</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/ca262bc2a2945114468a5b79272322a0ff71e6ec\"><code>ca262bc</code></a>\r\nEnsure that dask expr DataFrames are optimized when put into delayed (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11231\">#11231</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/6a04b4ed70934b548d25a793eed90f033a690531\"><code>6a04b4e</code></a>\r\nFixes for <code>d</code> freq deprecation in <code>pandas=3</code> (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11228\">#11228</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/894a723f99ad215ced81cb04b64abb16772728f4\"><code>894a723</code></a>\r\nbump approx threshold for test_quantile (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/10720\">#10720</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/b4b33caed8fc9cf77c9332442ab11cf00f90bb42\"><code>b4b33ca</code></a>\r\nBump xarray-contrib/issue-from-pytest-log from 1.2.8 to 1.3.0 (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11221\">#11221</a>)</li>\r\n<li><a\r\nhref=\"https://github.com/dask/dask/commit/90c176dc6aca8cfade4b79e5e9b636c04b3f09e9\"><code>90c176d</code></a>\r\nBump JamesIves/github-pages-deploy-action from 4.6.1 to 4.6.3 (<a\r\nhref=\"https://redirect.github.com/dask/dask/issues/11222\">#11222</a>)</li>\r\n<li>See full diff in <a\r\nhref=\"https://github.com/dask/dask/compare/2024.7.0...2024.7.1\">compare\r\nview</a></li>\r\n</ul>\r\n</details>\r\n<br />\r\n\r\n\r\n[![Dependabot compatibility\r\nscore](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=dask[distributed]&package-manager=pip&previous-version=2024.7.0&new-version=2024.7.1)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores)\r\n\r\nDependabot will resolve any conflicts with this PR as long as you don't\r\nalter it yourself. You can also trigger a rebase manually by commenting\r\n`@dependabot rebase`.\r\n\r\n[//]: # (dependabot-automerge-start)\r\n[//]: # (dependabot-automerge-end)\r\n\r\n---\r\n\r\n<details>\r\n<summary>Dependabot commands and options</summary>\r\n<br />\r\n\r\nYou can trigger Dependabot actions by commenting on this PR:\r\n- `@dependabot rebase` will rebase this PR\r\n- `@dependabot recreate` will recreate this PR, overwriting any edits\r\nthat have been made to it\r\n- `@dependabot merge` will merge this PR after your CI passes on it\r\n- `@dependabot squash and merge` will squash and merge this PR after\r\nyour CI passes on it\r\n- `@dependabot cancel merge` will cancel a previously requested merge\r\nand block automerging\r\n- `@dependabot reopen` will reopen this PR if it is closed\r\n- `@dependabot close` will close this PR and stop Dependabot recreating\r\nit. You can achieve the same result by closing it manually\r\n- `@dependabot show <dependency name> ignore conditions` will show all\r\nof the ignore conditions of the specified dependency\r\n- `@dependabot ignore this major version` will close this PR and stop\r\nDependabot creating any more for this major version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this minor version` will close this PR and stop\r\nDependabot creating any more for this minor version (unless you reopen\r\nthe PR or upgrade to it yourself)\r\n- `@dependabot ignore this dependency` will close this PR and stop\r\nDependabot creating any more for this dependency (unless you reopen the\r\nPR or upgrade to it yourself)\r\n\r\n\r\n</details>\r\n\r\nSigned-off-by: dependabot[bot] <support@github.com>\r\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>","shortMessageHtmlLink":"Bump dask[distributed] from 2024.7.0 to 2024.7.1 (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2420471060\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Quantum-Accelerators/quacc/issues/2346\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Quantum-Accelerators/quacc/pull/2346/hovercard\" href=\"https://github.com/Quantum-Accelerators/quacc/pull/2346\">#2346</a>)"}},{"before":null,"after":"7a728db95f3b1c8b127f26d6de87e0a4f428beb8","ref":"refs/heads/dependabot/pip/phonopy-2.26.6","pushedAt":"2024-07-20T01:56:48.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"dependabot[bot]","name":null,"path":"/apps/dependabot","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/29110?s=80&v=4"},"commit":{"message":"Bump phonopy from 2.26.5 to 2.26.6\n\nBumps [phonopy](https://github.com/phonopy/phonopy) from 2.26.5 to 2.26.6.\n- [Changelog](https://github.com/phonopy/phonopy/blob/develop/doc/changelog.md)\n- [Commits](https://github.com/phonopy/phonopy/compare/v2.26.5...v2.26.6)\n\n---\nupdated-dependencies:\n- dependency-name: phonopy\n  dependency-type: direct:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>","shortMessageHtmlLink":"Bump phonopy from 2.26.5 to 2.26.6"}},{"before":null,"after":"09f9996379b345653610e026b5b253e31cd20fbb","ref":"refs/heads/dependabot/pip/pymatgen-2024.7.18","pushedAt":"2024-07-20T01:56:43.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"dependabot[bot]","name":null,"path":"/apps/dependabot","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/29110?s=80&v=4"},"commit":{"message":"Bump pymatgen from 2024.6.10 to 2024.7.18\n\nBumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.6.10 to 2024.7.18.\n- [Release notes](https://github.com/materialsproject/pymatgen/releases)\n- 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