Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
BSD 3-Clause "New" or "Revised" License
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Add arg that allows to change default cutoff_icohp in BatchStructureGraphs #228
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naik-aakash closed 6 months ago
Currently, it is not possible to change the default value of cutoff_icohp via the
BatchStructureGraphsfeaturizer.