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New SEAMM package database
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0. torchani-step changed from 2023.2.28 to 2024.5.12
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GitHub Action committed May 12, 2024
1 parent 2be9923 commit 3ab4e2e
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6 changes: 3 additions & 3 deletions environments/SEAMM_packages.json
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@@ -1,7 +1,7 @@
{
"conceptdoi": "10.5281/zenodo.7789853",
"date": "2024-05-10T05:33:52.817253+00:00",
"doi": "10.5281/zenodo.11171015",
"date": "2024-05-12T14:49:18.881580+00:00",
"doi": "10.5281/zenodo.11181497",
"packages": {
"control-parameters-step": {
"channel": "pypi",
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"channel": "pypi",
"description": "A SEAMM plug-in for TorchANI",
"type": "MolSSI plug-in",
"version": "2023.2.28"
"version": "2024.5.12"
}
}
}
2 changes: 1 addition & 1 deletion environments/seamm_pinned.yml
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Expand Up @@ -59,7 +59,7 @@ dependencies:
- supercell-step==2023.11.5
- table-step==2023.11.10
- thermal-conductivity-step==2024.3.22
- torchani-step==2023.2.28
- torchani-step==2024.5.12

# 3rd-party plug-ins
- pyxtal-step==2021.7.29

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