diff --git a/deepmd/utils/neighbor_stat.py b/deepmd/utils/neighbor_stat.py index 11a466faac..24e1adc930 100644 --- a/deepmd/utils/neighbor_stat.py +++ b/deepmd/utils/neighbor_stat.py @@ -82,7 +82,12 @@ def get_stat(self, self.place_holders['box']: np.array(data_set['box'])[kk].reshape([-1, 9]), self.place_holders['default_mesh']: np.array(data.default_mesh[ii]), }) - dt = np.min(dt) + if dt.size != 0: + dt = np.min(dt) + else: + dt = self.rcut + log.warning("Atoms with no neighbors found in %s. Please make sure it's what you expected."%jj) + if dt < self.min_nbor_dist: self.min_nbor_dist = dt for ww in range(self.ntypes):