amorphouspy 0.0.12__py2.py3-none-any.whl
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amorphouspy/__init__.py
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Metadata-Version: 2.4
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Name: amorphouspy
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Version: 0.0.12
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Summary: Workflows for atomistic modeling of oxide glasses
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Author-email: Achraf Atila <achraf.atila@bam.de>, Marcel Sadowski <marcel.sadowski@schott.com>, Jan Janssen <janssen@mpie.de>, Leopold Talirz <leopold.talirz@schott.com>
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License-Expression: BSD-3-Clause
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Requires-Dist: ase
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Requires-Dist: lammpsparser
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Requires-Dist: numba
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Requires-Dist: pandas
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Requires-Dist: pyiron-base
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Requires-Dist: pymatgen
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Requires-Dist: scipy
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Requires-Dist: sovapy
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Description-Content-Type: text/markdown
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# Workflows for atomistic modeling of oxide glasses
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This project aims at setting up pyiron-workflows to perform atomistic simulations for glasses.
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This concerns, but is not limited to, generating initial structural models, performing melt-quenching simulations as well as analysing relevant properties.
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Later, these workflows serve as blueprints intended to be used by "Otto", the GlasAgent.
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amorphouspy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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amorphouspy-0.0.12.dist-info/METADATA,sha256=-0tnG6rBdfVRahX5pDbxMSl4hUuIfsLcXKSAOnpYteE,939
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amorphouspy-0.0.12.dist-info/WHEEL,sha256=aha0VrrYvgDJ3Xxl3db_g_MDIW-ZexDdrc_m-Hk8YY4,105
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amorphouspy-0.0.12.dist-info/RECORD,,
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