Atoms input - #14

Merged

efako merged 7 commits into

mainfrom

Mar 16, 2026

Commits on Mar 16, 2026

fixed bug where the code would try to find adosorption sites for infinity when at least 1 of the gridpoints would fall below the slab. Changed name of input variable 'smiles' to 'input', where an a…
tiagojoaog
committed
8c8790f
removed redundant condition
tiagojoaog
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0ede3a9
added missing import
tiagojoaog
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2ccbc52
fixed indent
tiagojoaog
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1579d2c
updated docs to include example with atomic structures
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52367de
updated ipynb doc, updated package version
tiagojoaog
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d33490b
updated tests
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89e4397