From 4ab1427150d7598b4f9b3e2520d822003f6efb7d Mon Sep 17 00:00:00 2001 From: Chengqian Zhang <2000011006@stu.pku.edu.cn> Date: Tue, 17 Mar 2026 03:14:06 +0000 Subject: [PATCH 1/2] fix: small negative value in sqrt --- deepmd/utils/env_mat_stat.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/deepmd/utils/env_mat_stat.py b/deepmd/utils/env_mat_stat.py index b10842fb41..a7776b9df3 100644 --- a/deepmd/utils/env_mat_stat.py +++ b/deepmd/utils/env_mat_stat.py @@ -89,8 +89,11 @@ def compute_std(self, default: float = 1e-1, protection: float = 1e-2) -> float: if self.number == 0: return default val = np.sqrt( - self.squared_sum / self.number - - np.multiply(self.sum / self.number, self.sum / self.number) + np.clip( + self.squared_sum / self.number - np.multiply(self.sum / self.number, self.sum / self.number), + a_min=0, + a_max=None + ) ) if np.abs(val) < protection: val = protection From 3e70f352994514177651e9bc69ad34c598b0505c Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Wed, 18 Mar 2026 02:15:02 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- deepmd/utils/env_mat_stat.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/deepmd/utils/env_mat_stat.py b/deepmd/utils/env_mat_stat.py index a7776b9df3..626950a3a1 100644 --- a/deepmd/utils/env_mat_stat.py +++ b/deepmd/utils/env_mat_stat.py @@ -90,9 +90,10 @@ def compute_std(self, default: float = 1e-1, protection: float = 1e-2) -> float: return default val = np.sqrt( np.clip( - self.squared_sum / self.number - np.multiply(self.sum / self.number, self.sum / self.number), + self.squared_sum / self.number + - np.multiply(self.sum / self.number, self.sum / self.number), a_min=0, - a_max=None + a_max=None, ) ) if np.abs(val) < protection: