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Commit 76ced9e

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committedMar 18, 2025
New SEAMM package database
0. lammps-step changed from 2025.3.16 to 2025.3.17.1
1 parent 4bedd41 commit 76ced9e

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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": "2025-03-17T05:24:21.123318+00:00",
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"doi": "10.5281/zenodo.15037084",
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"date": "2025-03-18T05:23:42.830916+00:00",
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"doi": "10.5281/zenodo.15043268",
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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 LAMMPS, a forcefield-based molecular dynamics (MD) code.",
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"type": "MolSSI plug-in",
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"version": "2025.3.16"
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"version": "2025.3.17.1"
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},
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"loop-step": {
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"channel": "pypi",

‎environments/seamm_pinned.yml

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- from-smiles-step==2025.2.24
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- gaussian-step==2025.1.31
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- geometry-analysis-step==2025.3.4
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- lammps-step==2025.3.16
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- lammps-step==2025.3.17.1
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- loop-step==2024.12.23
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- mopac-step==2025.3.6
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- packmol-step==2025.3.9

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