pack-mm 0.0.20__py3-none-any.whl → 0.0.21__py3-none-any.whl
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- {pack_mm-0.0.20.dist-info → pack_mm-0.0.21.dist-info}/METADATA +10 -10
- {pack_mm-0.0.20.dist-info → pack_mm-0.0.21.dist-info}/RECORD +5 -5
- {pack_mm-0.0.20.dist-info → pack_mm-0.0.21.dist-info}/WHEEL +0 -0
- {pack_mm-0.0.20.dist-info → pack_mm-0.0.21.dist-info}/entry_points.txt +0 -0
- {pack_mm-0.0.20.dist-info → pack_mm-0.0.21.dist-info}/licenses/LICENSE +0 -0
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Metadata-Version: 2.1
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Name: pack-mm
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Version: 0.0.
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Version: 0.0.21
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Summary: packing materials and molecules in boxes using for machine learnt interatomic potentials
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Author: Alin M. Elena
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Classifier: Programming Language :: Python
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```
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### Zeolite in cylindrical channel
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```
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### NaCl on surface
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```
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### MOF ellipsoid
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```
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``` bash
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```
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### Liquid water
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```
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### interstitials
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```bash
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before optimisation
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after optimisation
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### full list of options
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pack_mm-0.0.
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pack_mm-0.0.
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pack_mm-0.0.
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pack_mm-0.0.
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pack_mm-0.0.21.dist-info/METADATA,sha256=jW4IZ3HFn-e7AxJ8dAteajsDSs1dsybX3G9l080Gr5Y,13506
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pack_mm-0.0.21.dist-info/WHEEL,sha256=thaaA2w1JzcGC48WYufAs8nrYZjJm8LqNfnXFOFyCC4,90
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pack_mm-0.0.21.dist-info/entry_points.txt,sha256=ajKA2oehIa_LCVCP2XTRxV0VNgjGl9c2wYkwk0BasrQ,66
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pack_mm-0.0.21.dist-info/licenses/LICENSE,sha256=ZOYkPdn_vQ8wYJqZnjesow79F_grMbVlHcJ9V91G1pE,1100
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pack_mm/__init__.py,sha256=ct7qfCmTDwhLYip6JKYWRLasmmaGYt0ColbK0CpvYZk,150
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pack_mm/cli/packmm.py,sha256=VqumDT_f1Nf1LCZ1WsF5D6MoLmKEQPEimYenibQHIU4,4944
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pack_mm/core/core.py,sha256=vNMQOVDIXyRCUWosww9sSHUxwqbjPRk5JLsb9muwpVA,11369
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pack_mm-0.0.
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pack_mm-0.0.21.dist-info/RECORD,,
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File without changes
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File without changes
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File without changes
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