Update mddatasetbuilder/datasetbuilder.py

njzjz · Jul 11, 2019 · 4751e73 · 4751e73
1 parent d524c9a
commit 4751e73
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/mddatasetbuilder/datasetbuilder.py b/mddatasetbuilder/datasetbuilder.py
@@ -184,7 +184,8 @@ def _writecoulumbmatrix(self, trajatomfilename, fc):
                     f"Max counter of {trajatomfilename} is {max_counter}")
             pool.close()
             choosedindexs = self._clusterdatas(
-                np.sort(feedvector), n_clusters=self.n_clusters, n_each=self.n_each)
+                np.sort(feedvector), n_clusters=self.n_clusters,
+                n_each=self.n_each)
             pool.join()
         else:
             stepatom = np.array([[u, vv]