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test wham
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GiovanniBussi committed Sep 22, 2023
1 parent fddbb38 commit 014e4f6
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion tests/test_wham.py
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ def test_wham(self):
import numpy as np
a = np.exp(wham(np.array([[1, 10, 7], [2, 9, 6], [3, 8, 5]])).logW)
self.assertAlmostEqual(np.sum((a-np.array([0.41728571, 0.39684866, 0.18586563]))**2), 0.0)
b = np.exp(wham(np.array([[1, 10], [2, 9], [3, 8]]), traj_weight=(1, 2)).logW)
b = np.exp(wham(np.array([[1, 10], [2, 9], [3, 8]]), traj_weight=(0.1, 0.2)).logW)
self.assertAlmostEqual(np.sum((b-np.array([0.41728571, 0.39684866, 0.18586563]))**2), 0.0)
c = np.exp(wham(np.array([[3, 5],
[4, 4],
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