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New SEAMM package database
0. seamm-exec changed from 2024.4.22 to 2024.4.24 1. dftbplus-step changed from 2024.1.18 to 2024.4.24
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environments/SEAMM_packages.json

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{
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"date": "2024-04-23T05:32:38.609564+00:00",
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"date": "2024-04-25T05:33:24.267877+00:00",
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"doi": "10.5281/zenodo.7860696",
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"packages": {
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"control-parameters-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": "2024.1.18"
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"version": "2024.4.24"
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},
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"diffusivity-step": {
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"channel": "pypi",
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"channel": "pypi",
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"description": "Classes to execute background codes for SEAMM",
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"type": "Core package",
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"version": "2024.4.22"
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"version": "2024.4.24"
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},
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"seamm-ff-util": {
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"channel": "conda-forge",

environments/seamm_pinned.yml

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# PyPi packages
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- pip:
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# Core packages
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- seamm-exec==2024.4.22
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- seamm-exec==2024.4.24
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- seamm-jobserver==2024.3.12
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# MolSSI plug-ins
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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==2024.1.18
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- dftbplus-step==2024.4.24
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- diffusivity-step==2023.9.4
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- fhi-aims-step==2024.1.19
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- forcefield-step==2024.1.10

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