diff --git a/alphaspace2/functions.py b/alphaspace2/functions.py index 97d8c12..6ae8651 100644 --- a/alphaspace2/functions.py +++ b/alphaspace2/functions.py @@ -515,7 +515,7 @@ def _binCluster(coords, bin_size, bin_buffer_ratio=0.01, distance=5.4): label = fcluster(zmat, distance, criterion='distance') - 1 tree = cKDTree(non_zero_cube_coord) - dist, ind = tree.query(coords, 1, n_jobs=1) + dist, ind = tree.query(coords, 1, workers=1) pocket_label = label[ind]