fix a typo in deepmd/hdf5 (#226)

njzjz · web-flow · commit 870ca2527358 · 2021-11-22T09:04:41.000+08:00
diff --git a/dpdata/deepmd/hdf5.py b/dpdata/deepmd/hdf5.py
@@ -146,4 +146,4 @@ def dump(f: h5py.File,
                 set_folder.create_dataset('%s.npy' % prop['fn'], data=reshaped_data[dt][set_stt:set_end])
 
     if nopbc:
-       g.create_dataset("nopbc", True)
+       g.create_dataset("nopbc", data=True)
