From 1cdca9e7294c316e27b84074cec2aa9a1a05c095 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 25 Jan 2024 10:46:28 -0500 Subject: [PATCH] seed Signed-off-by: Jinzhe Zeng --- tests/test_force_grad.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/test_force_grad.py b/tests/test_force_grad.py index 33b8787..72ee2d5 100644 --- a/tests/test_force_grad.py +++ b/tests/test_force_grad.py @@ -95,6 +95,7 @@ def get_dataset(self, system_index=0, batch_index=0): def test_force_grad(self, threshold=1e-3, delta0=1e-6, seed=20): result0 = self.model(**get_data(self.origin_batch)) + np.random.default_rng().seed(seed) errors = np.zeros((self.dpdatasystem._natoms, 3)) for atom_index in range(self.dpdatasystem._natoms): for axis_index in range(3):