TST: Added tests for Cauchy-Born shift corrector models #22
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TestPredictCauchyBornShifts.test_fit_taylor_model:
TestPredictCauchyBornShifts#L1
assert False
+ where False = <function allclose at 0x7f8749537730>(array([[ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 2.03958783e-01, 0.00000000e+00, -1.11022302e-08],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311482e-01, 0.00000000e+00, 0.00000000e+00],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311482e-01, 0.00000000e+00, 0.00000000e+00],\n [ 2.03958783e-01, 9.12311482e-01, 9.12311482e-01,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [-1.11022302e-08, 0.00000000e+00, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00]]), array([[ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 2.03958794e-01, 0.00000000e+00, 1.11022302e-08],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311482e-01, -5.55111512e-09, 0.00000000e+00],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311465e-01, 0.00000000e+00, 0.00000000e+00],\n [ 2.03958794e-01, 9.12311493e-01, 9.12311465e-01,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [ 0.00000000e+00, -5.55111512e-09, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [ 1.11022302e-08, 0.00000000e+00, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00]]), atol=1e-08)
+ where <function allclose at 0x7f8749537730> = np.allclose
+ and array([[ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 2.03958783e-01, 0.00000000e+00, -1.11022302e-08],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311482e-01, 0.00000000e+00, 0.00000000e+00],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 9.12311482e-01, 0.00000000e+00, 0.00000000e+00],\n [ 2.03958783e-01, 9.12311482e-01, 9.12311482e-01,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n [-1.11022302e-08, 0.00000000e+00, 0.00000000e+00,\n 0.00000000e+00, 0.00000000e+00, 0.00000000e+00]]) = <matscipy.cauchy_born.CubicCauchyBorn object at 0x7f87307716c0>.hess_f
+ where <matscipy.cauchy_born.CubicCauchyBorn object at 0x7f87307716c0> = <test_cauchy_born_corrector.TestPredictCauchyBornShifts testMethod=test_fit_taylor_model>.cb
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Paper Draft
The following actions uses node12 which is deprecated and will be forced to run on node16: actions/checkout@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
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