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LeMaterial / lematerial-fetcher Public

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Pull requests list

Fix(lematrho): Pass AECCAR0/AECCAR2 to chargemol for DDEC6 analysis

#51 opened May 12, 2026 by speckhard Collaborator

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Feat: lematrho, populate forces, stress_tensor, energy from static DFT runs.

#50 opened Apr 10, 2026 by speckhard Collaborator

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