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New SEAMM package database
0. dftbplus-step changed from 2025.3.3 to 2025.3.7
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environments/SEAMM_packages.json

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{
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"conceptdoi": "10.5281/zenodo.7789853",
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"date": "2025-03-07T05:23:01.377248+00:00",
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"doi": "10.5281/zenodo.14986253",
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"date": "2025-03-08T05:19:22.666251+00:00",
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"doi": "10.5281/zenodo.14991945",
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"metadata": {
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"3rd-party plug-in": {
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"pyxtal-step": {
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"channel": "pypi",
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"description": "A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.",
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"type": "MolSSI plug-in",
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"version": "2025.3.3"
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"version": "2025.3.7"
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},
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"diffusivity-step": {
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"channel": "pypi",

environments/seamm_pinned.yml

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- control-parameters-step==2023.11.15
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- crystal-builder-step==2022.7.31
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- custom-step==2023.12.12
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- dftbplus-step==2025.3.3
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- dftbplus-step==2025.3.7
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- diffusivity-step==2024.7.30.1
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- energy-scan-step==2024.12.14
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- fhi-aims-step==2024.10.31

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