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peverati / ACCDB Public

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Fork 19
Star 44

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Pull requests 3
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Fix problems manually#7

Open

danieleongari wants to merge 4 commits intopeverati:masterpeverati/ACCDB:masterfrom

danieleongari:fix_manual_natomsdanieleongari/ACCDB:fix_manual_natomsCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Open

Fix problems manually#7
danieleongari wants to merge 4 commits intopeverati:masterfrom
danieleongari:fix_manual_natoms

Commits

Commits on Jun 25, 2021

Use atomic symbols only for XYZ files
danieleongari
committed

Commits on Jun 28, 2021

fix some wrong natoms, partly as suggested by kylebystrom
danieleongari
committed
fix for missing geometries
danieleongari
committed
use suffix _ALL only if the database is a collection of the others in the same folder
danieleongari
committed

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