From 8a359dbadf2c5c002d2fbba81d21473caf3057cc Mon Sep 17 00:00:00 2001 From: Duo <50307526+iProzd@users.noreply.github.com> Date: Thu, 23 May 2024 22:00:57 +0800 Subject: [PATCH] fix: lower the atol for DPA2 corner case (#3814) ## Summary by CodeRabbit - **Bug Fixes** - Improved precision handling for "float64" in calculations, enhancing overall accuracy. --- source/tests/consistent/descriptor/test_dpa2.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/tests/consistent/descriptor/test_dpa2.py b/source/tests/consistent/descriptor/test_dpa2.py index 25887aa4e5..b24274c9d7 100644 --- a/source/tests/consistent/descriptor/test_dpa2.py +++ b/source/tests/consistent/descriptor/test_dpa2.py @@ -395,7 +395,7 @@ def atol(self) -> float: use_econf_tebd, ) = self.param if precision == "float64": - return 1e-8 + return 1e-6 # need to fix in the future, see issue https://github.com/deepmodeling/deepmd-kit/issues/3786 elif precision == "float32": return 1e-4 else: