Feat/aws upload - #4

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feat/aws-upload

Commits on Jun 27, 2025

simple post calculation processor from AWS
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2337900
pyrho dependency
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73cdbd6
init code logic to make all charge density files the same size vectors for HF dataframe and dataframe logic
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3232ee7

Commits on Jun 30, 2025

sample tutorial for LeMat-Rho raw data
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e7481f9

Commits on Aug 18, 2025

barebone update to LeMat-Rho for pushing AECCARs, Optimade, Chgcar compressed.
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a31c91d

Commits on Aug 20, 2025

addition of bader charge, reformatting
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3c99ae2
species at sites fix
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32ca5f4
fix bawl hash keyword
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15e5b7b

Commits on Jan 13, 2026

update to script
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ab78ba4