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Ran 09 May 2019 10:48PM UTC

Files 90

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Committed 09 May 2019 10:35PM UTC coverage: 74.05% (+0.03%) from 74.018%

Job # 296.2

Build Type

Pull #81

travis-ci

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web-flow

Commit Message

fix bug in ligand atoms in adsorbate_pre.py

In the adsorbate_pre.py , at line 511, the function ' info2primary_index(atoms)' produces repeated ligand atoms. Besides, if an adsorbate is at a bridge site or a hollow site, the returned ligand atoms will include site atoms. To fix these two bugs, a line " ligand = [lig for lig in list(np.unique(ligand)) if lig not in site] " is inserted at line 542.

Pull Request Pull Request #81: fix bugs in returned ligand atoms by adsorbate_pre.py

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SUNCAT-Center / CatLearn / 296 / 2 74% master: 74%

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RDoc

HTML

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Source Files on job 296.2

SUNCAT-Center / CatLearn / 296 / 2
74%
master: 74%

README BADGES
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