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Pull requests: SUNCAT-Center/CatKit
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Fix 'inhomogeneous shape' error topology on adsorption
#102
by blackrabbit17
was closed Jan 18, 2023
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Update sklearn -> scikit-learn package name to avoid deprecation warning
#101
by blackrabbit17
was closed Jan 15, 2023
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Fix warning for incorrect compare with literal
#100
by blackrabbit17
was closed Jan 15, 2023
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Make 5 angstroms the default cutoff radius for voronoi neighbor list.
#86
by jboes
was merged Mar 22, 2019
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fixed vacuum bug and added warning for memory leak which occurs with …
#85
by jboes
was merged Mar 18, 2019
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Refactoring of CatGen imports and minor updates to symmetry algorithems.
#76
by jboes
was merged Oct 18, 2018
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Follow up with changes in ASE + small update to release of dataset
#75
by kirstenwinther
was closed Oct 23, 2018
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Fixed several bugs an nuisances in cathub organize script
#72
by mhoffman
was merged Sep 17, 2018
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Fingerprint database revision to return nan instead of entry omission
#71
by jboes
was merged Sep 12, 2018
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Update PawPrint documentation to be PEP and Sphinx compliant
#69
by jboes
was closed Sep 7, 2018
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