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New SEAMM package database
0. gaussian-step changed from 2024.11.18 to 2024.12.1.1
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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": "2024-11-30T05:39:35.399661+00:00",
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"doi": "10.5281/zenodo.14249269",
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"date": "2024-12-02T05:41:08.909305+00:00",
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"doi": "10.5281/zenodo.14257716",
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"packages": {
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"control-parameters-step": {
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"channel": "pypi",
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"channel": "pypi",
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"description": "A SEAMM plugin for A SEAMM plug-in for Gaussian",
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"type": "MolSSI plug-in",
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"version": "2024.11.18"
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"version": "2024.12.1.1"
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},
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"geometry-analysis-step": {
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"channel": "pypi",

environments/seamm_pinned.yml

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- fhi-aims-step==2024.10.31
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- forcefield-step==2024.6.30
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- from-smiles-step==2024.10.31
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- gaussian-step==2024.11.18
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- gaussian-step==2024.12.1.1
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- geometry-analysis-step==2023.1.14
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- lammps-step==2024.8.22
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- loop-step==2024.11.19

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