From 97d0b473cc7aab8d3047929bd5c7bcd530a63c0b Mon Sep 17 00:00:00 2001 From: Duo <50307526+iProzd@users.noreply.github.com> Date: Wed, 7 Sep 2022 20:00:37 +0800 Subject: [PATCH] Change dtype of self.nei_type to np.int32. --- deepmd/descriptor/se_a.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deepmd/descriptor/se_a.py b/deepmd/descriptor/se_a.py index c927fa7191..41b9cac2c3 100644 --- a/deepmd/descriptor/se_a.py +++ b/deepmd/descriptor/se_a.py @@ -166,7 +166,7 @@ def __init__ (self, self.place_holders = {} self.nei_type = np.array([]) for ii in range(self.ntypes): - self.nei_type = np.append(self.nei_type, ii * np.ones(self.sel_a[ii])) # like a mask + self.nei_type = np.append(self.nei_type, ii * np.ones(self.sel_a[ii], dtype=np.int32)) # like a mask avg_zero = np.zeros([self.ntypes,self.ndescrpt]).astype(GLOBAL_NP_FLOAT_PRECISION) std_ones = np.ones ([self.ntypes,self.ndescrpt]).astype(GLOBAL_NP_FLOAT_PRECISION)