ase 3.21 and test mlneb and mlmin

SUNCAT-Center · Nov 14, 2022 · 1d43067 · 1d43067
1 parent c5442cd
commit 1d43067
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diff --git a/requirements.txt b/requirements.txt
@@ -1,4 +1,4 @@
-ase>=3.17.0
+ase>=3.21.0
 click>=6.7
 cycler>=0.10.0
 decorator>=4.3.0

diff --git a/test/test_mlmin.py b/test/test_mlmin.py
@@ -128,3 +128,9 @@ def test_kernel(self):
  fmax_test = 0.00766
  np.testing.assert_array_almost_equal(fmax_opt, fmax_test, decimal=5)
 
+
+if __name__ == '__main__':
+ test_class = TestMLMin()
+ test_class.test_minimize()
+ test_class.test_acquisition()
+ test_class.test_kernel()