[Test/Cython/1D] Added a test for counterflow diffusion flames
This commit is contained in:
Ray Speth
parent
aac9435a0e
commit
40d190cd89
3 changed files with 265 additions and 0 deletions
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@ -1,5 +1,6 @@
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import cantera as ct
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from . import utilities
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import numpy as np
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import os
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@ -121,6 +122,7 @@ class TestFreeFlame(utilities.CanteraTest):
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for rhou_j in self.sim.density * self.sim.u:
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self.assertNear(rhou_j, rhou, 1e-4)
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# @utilities.unittest.skip('sometimes slow')
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def test_multicomponent(self):
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reactants= 'H2:1.1, O2:1, AR:5.3'
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p = ct.OneAtm
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@ -218,3 +220,81 @@ class TestFreeFlame(utilities.CanteraTest):
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for attr in ct.FlameBase.__dict__:
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if isinstance(ct.FlameBase.__dict__[attr], property):
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getattr(self.sim, attr)
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class TestDiffusionFlame(utilities.CanteraTest):
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referenceFile = '../data/DiffusionFlameTest-h2-mix.csv'
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# Note: to re-create the reference file:
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# (1) set PYTHONPATH to build/python2 or build/python3.
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# (2) Start Python in the test/work directory and run:
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# >>> import cantera.test
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# >>> t = cantera.test.test_onedim.TestDiffusionFlame("test_mixture_averaged")
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# >>> t.test_mixture_averaged(True)
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def create_sim(self, p, fuel='H2:1.0, AR:1.0', T_fuel=300, mdot_fuel=0.24,
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oxidizer='O2:0.2, AR:0.8', T_ox=300, mdot_ox=0.72):
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initial_grid = initial_grid = np.linspace(0, 0.02, 6) # m
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tol_ss = [1.0e-5, 1.0e-12] # [rtol, atol] for steady-state problem
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tol_ts = [5.0e-4, 1.0e-9] # [rtol, atol] for time stepping
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# IdealGasMix object used to compute mixture properties
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self.gas = ct.Solution('h2o2.xml', 'ohmech')
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self.gas.TP = T_fuel, p
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# Flame object
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self.sim = ct.CounterflowDiffusionFlame(self.gas, initial_grid)
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self.sim.flame.setSteadyTolerances(default=tol_ss)
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self.sim.flame.setTransientTolerances(default=tol_ts)
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# Set properties of the fuel and oxidizer mixtures
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self.sim.fuel_inlet.mdot = mdot_fuel
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self.sim.fuel_inlet.X = fuel
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self.sim.fuel_inlet.T = T_fuel
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self.sim.oxidizer_inlet.mdot = mdot_ox
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self.sim.oxidizer_inlet.X = oxidizer
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self.sim.oxidizer_inlet.T = T_ox
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self.sim.setInitialGuess(fuel='H2')
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def solve_fixed_T(self):
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# Solve with the energy equation disabled
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self.sim.energyEnabled = False
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self.sim.solve(loglevel=0, refine_grid=False)
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self.assertFalse(self.sim.energyEnabled)
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def solve_mix(self, ratio=3.0, slope=0.1, curve=0.12, prune=0.0):
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# Solve with the energy equation enabled
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self.sim.setRefineCriteria(ratio=ratio, slope=slope, curve=curve, prune=prune)
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self.sim.energyEnabled = True
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self.sim.solve(loglevel=0, refine_grid=True)
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self.assertTrue(self.sim.energyEnabled)
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self.assertEqual(self.sim.transportModel, 'Mix')
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def test_mixture_averaged(self, saveReference=False):
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self.create_sim(p=ct.OneAtm)
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nPoints = len(self.sim.grid)
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Tfixed = self.sim.T
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self.solve_fixed_T()
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self.assertEqual(nPoints, len(self.sim.grid))
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self.assertArrayNear(Tfixed, self.sim.T)
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self.solve_mix()
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data = np.empty((self.sim.flame.nPoints, self.gas.nSpecies + 4))
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data[:,0] = self.sim.grid
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data[:,1] = self.sim.u
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data[:,2] = self.sim.V
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data[:,3] = self.sim.T
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data[:,4:] = self.sim.Y.T
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if saveReference:
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np.savetxt(self.referenceFile, data, '%11.6e', ', ')
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else:
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bad = utilities.compareProfiles(self.referenceFile, data,
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rtol=1e-2, atol=1e-8, xtol=1e-2)
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self.assertFalse(bad, bad)
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@ -20,3 +20,63 @@ class CanteraTest(unittest.TestCase):
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for a,b in zip(A.flat, B.flat):
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self.assertNear(a,b, rtol, atol, msg)
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def compareProfiles(reference, sample, rtol=1e-5, atol=1e-12, xtol=1e-5):
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"""
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Compare two 2D arrays of spatial or time profiles. Each data set should
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contain the time or space coordinate in the first column and data series
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to be compared in successive columns.
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The coordinates in each data set do not need to be the same: The data from
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the second data set will be interpolated onto the coordinates in the first
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data set before being compared. This means that the range of the "sample"
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data set should be at least as long as the "reference" data set.
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After interpolation, each data point must satisfy a combined relative and absolute
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error criterion specified by `rtol` and `atol`.
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If the comparison succeeds, this function returns `None`. If the comparison
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fails, a formatted report of the differing elements is returned.
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"""
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if isinstance(reference, str):
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reference = np.genfromtxt(reference, delimiter=',').T
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else:
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reference = np.asarray(reference).T
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sample = np.asarray(sample).T
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assert reference.shape[0] == sample.shape[0]
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nVars = reference.shape[0]
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nTimes = reference.shape[1]
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bad = []
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template = '{0:9.4e} {1: 3d} {2:14.7e} {3:14.7e} {4:9.3e} {5:9.3e} {6:9.3e}'
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for i in range(1, nVars):
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scale = max(max(abs(reference[i])), reference[i].ptp(),
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max(abs(sample[i])), sample[i].ptp())
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slope = np.zeros(nTimes)
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slope[1:] = np.diff(reference[i]) / np.diff(reference[0]) * reference[0].ptp()
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comp = np.interp(reference[0], sample[0], sample[i])
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for j in range(nTimes):
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a = reference[i,j]
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b = comp[j]
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abserr = abs(a-b)
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relerr = abs(a-b) / (scale + atol)
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# error that can be accounted for by shifting the profile along
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# the time / spatial coordinate
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xerr = abserr / (abs(slope[j]) + atol)
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if abserr > atol and relerr > rtol and xerr > xtol:
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bad.append(template.format(reference[0][j], i, a, b, abserr, relerr, xerr))
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if bad:
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header = ['Failed series comparisons:',
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'coordinate comp. reference val test value abs. err rel. err pos. err',
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'---------- --- -------------- -------------- --------- --------- ---------']
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return '\n'.join(header + bad)
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else:
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return None
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125
test/data/DiffusionFlameTest-h2-mix.csv
Normal file
125
test/data/DiffusionFlameTest-h2-mix.csv
Normal file
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@ -0,0 +1,125 @@
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0.000000e+00, 2.815612e-01, -1.397559e-15, 3.000000e+02, 4.803073e-02, 5.107431e-08, 1.380995e-14, 2.523482e-14, 6.073548e-18, 2.310082e-08, 1.757737e-17, 1.379886e-18, 9.519692e-01
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4.166667e-04, 2.795051e-01, 4.962352e+00, 3.000442e+02, 4.801977e-02, 8.834416e-08, 1.190364e-14, 2.498022e-14, 2.068926e-17, 9.941571e-08, 8.258484e-17, 2.092338e-18, 9.519800e-01
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8.333333e-04, 2.733413e-01, 9.925426e+00, 3.001645e+02, 4.799326e-02, 1.540190e-07, 1.020063e-14, 2.504437e-14, 2.147975e-17, 4.258004e-07, 9.904964e-17, 2.838931e-18, 9.520062e-01
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1.250000e-03, 2.631234e-01, 1.489041e+01, 3.004867e+02, 4.793001e-02, 2.703782e-07, 8.777158e-15, 2.744081e-14, 2.491046e-17, 1.796080e-06, 1.109903e-16, 3.649081e-18, 9.520679e-01
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1.666667e-03, 2.489908e-01, 1.986006e+01, 3.013276e+02, 4.778281e-02, 4.784306e-07, 8.090943e-15, 4.204415e-14, 4.123811e-17, 7.364085e-06, 1.692793e-16, 4.719451e-18, 9.522093e-01
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1.875000e-03, 2.405832e-01, 2.234996e+01, 3.022256e+02, 4.764043e-02, 6.471479e-07, 8.707836e-15, 7.103229e-14, 7.514464e-17, 1.616433e-05, 2.839076e-16, 5.660640e-18, 9.523428e-01
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2.083333e-03, 2.314349e-01, 2.484765e+01, 3.037791e+02, 4.741377e-02, 8.846061e-07, 1.107157e-14, 1.508014e-13, 1.829238e-16, 3.707975e-05, 5.953664e-16, 7.508436e-18, 9.525483e-01
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2.291667e-03, 2.217300e-01, 2.735932e+01, 3.064135e+02, 4.706116e-02, 1.221550e-06, 1.716207e-14, 3.644320e-13, 5.299816e-16, 8.521436e-05, 1.410222e-15, 1.162503e-17, 9.528524e-01
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2.500000e-03, 2.117319e-01, 2.989490e+01, 3.107776e+02, 4.652809e-02, 1.704744e-06, 3.096291e-14, 9.255945e-13, 1.616331e-15, 1.916554e-04, 3.471352e-15, 2.123326e-17, 9.532786e-01
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2.604167e-03, 2.067608e-01, 3.117866e+01, 3.139638e+02, 4.616685e-02, 2.031104e-06, 4.372729e-14, 1.546602e-12, 2.938557e-15, 2.900056e-04, 5.673330e-15, 3.092540e-17, 9.535411e-01
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2.708333e-03, 2.019138e-01, 3.247953e+01, 3.180895e+02, 4.572702e-02, 2.429706e-06, 6.289054e-14, 2.635004e-12, 5.375273e-15, 4.407314e-04, 9.407662e-15, 4.695425e-17, 9.538298e-01
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2.812500e-03, 1.972646e-01, 3.380352e+01, 3.233771e+02, 4.519889e-02, 2.917583e-06, 9.101266e-14, 4.524570e-12, 9.759741e-15, 6.669466e-04, 1.563552e-14, 7.315600e-17, 9.541312e-01
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2.916667e-03, 1.928875e-01, 3.515826e+01, 3.300790e+02, 4.457426e-02, 3.515686e-06, 1.312721e-13, 7.776301e-12, 1.742768e-14, 9.987438e-04, 2.585969e-14, 1.154778e-16, 9.544235e-01
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3.020833e-03, 1.888526e-01, 3.655314e+01, 3.384733e+02, 4.384750e-02, 4.249468e-06, 1.872944e-13, 1.332471e-11, 3.044278e-14, 1.473384e-03, 4.239644e-14, 1.831233e-16, 9.546749e-01
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3.125000e-03, 1.852189e-01, 3.799924e+01, 3.488554e+02, 4.301644e-02, 5.149352e-06, 2.626909e-13, 2.271170e-11, 5.193211e-14, 2.134397e-03, 6.877326e-14, 2.904986e-16, 9.548440e-01
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3.229167e-03, 1.820269e-01, 3.950908e+01, 3.615275e+02, 4.208301e-02, 6.250958e-06, 3.602297e-13, 3.845560e-11, 8.684218e-14, 3.029306e-03, 1.103062e-13, 4.608041e-16, 9.548814e-01
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3.333333e-03, 1.792922e-01, 4.109607e+01, 3.767846e+02, 4.105343e-02, 7.594975e-06, 4.807293e-13, 6.462534e-11, 1.446409e-13, 4.205989e-03, 1.749245e-13, 7.331695e-16, 9.547330e-01
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3.437500e-03, 1.769997e-01, 4.277357e+01, 3.948997e+02, 3.993786e-02, 9.226555e-06, 6.221775e-13, 1.077193e-10, 2.511330e-13, 5.708124e-03, 2.743158e-13, 1.177645e-15, 9.543448e-01
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3.541667e-03, 1.751009e-01, 4.455380e+01, 4.161096e+02, 3.874950e-02, 1.119418e-05, 7.802903e-13, 1.779846e-10, 5.023101e-13, 7.570531e-03, 4.254607e-13, 1.928088e-15, 9.536688e-01
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3.645833e-03, 1.735135e-01, 4.644655e+01, 4.406019e+02, 3.750340e-02, 1.354801e-05, 9.528642e-13, 2.913518e-10, 1.306429e-12, 9.815372e-03, 6.526026e-13, 3.257396e-15, 9.526677e-01
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3.750000e-03, 1.721245e-01, 4.845799e+01, 4.685058e+02, 3.621516e-02, 1.633777e-05, 1.152892e-12, 4.721927e-10, 4.427643e-12, 1.244997e-02, 9.896669e-13, 5.758011e-15, 9.513185e-01
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3.854167e-03, 1.707952e-01, 5.058966e+01, 4.998859e+02, 3.489979e-02, 1.961050e-05, 1.445125e-12, 7.571246e-10, 1.720493e-11, 1.546656e-02, 1.483106e-12, 1.079980e-14, 9.496140e-01
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3.958333e-03, 1.693692e-01, 5.283795e+01, 5.347415e+02, 3.357084e-02, 2.340820e-05, 2.059727e-12, 1.200080e-09, 6.824255e-11, 1.884380e-02, 2.195106e-12, 2.176506e-14, 9.475620e-01
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4.062500e-03, 1.676798e-01, 5.519390e+01, 5.730086e+02, 3.223994e-02, 2.776591e-05, 3.784982e-12, 1.878830e-09, 2.603657e-10, 2.254945e-02, 3.207065e-12, 4.759642e-14, 9.451828e-01
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4.166667e-03, 1.655588e-01, 5.764357e+01, 6.145669e+02, 3.091656e-02, 3.271024e-05, 9.440838e-12, 2.903168e-09, 9.390676e-10, 2.654365e-02, 4.622755e-12, 1.136144e-13, 9.425071e-01
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4.375000e-03, 1.595059e-01, 6.275479e+01, 7.067449e+02, 2.841165e-02, 4.391143e-05, 6.273309e-11, 6.265145e-09, 9.177045e-09, 3.489820e-02, 8.638268e-12, 5.668346e-13, 9.366462e-01
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4.583333e-03, 1.498473e-01, 6.797356e+01, 8.090880e+02, 2.599769e-02, 5.738017e-05, 4.587547e-10, 1.293532e-08, 6.539199e-08, 4.377075e-02, 1.553482e-11, 3.764432e-12, 9.301741e-01
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4.791667e-03, 1.358481e-01, 7.311395e+01, 9.198133e+02, 2.369029e-02, 7.299761e-05, 2.785096e-09, 2.578158e-08, 3.479245e-07, 5.287912e-02, 2.729052e-11, 2.525780e-11, 9.233572e-01
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5.000000e-03, 1.170840e-01, 7.799450e+01, 1.037081e+03, 2.149507e-02, 9.057518e-05, 1.365300e-08, 5.125118e-08, 1.440000e-06, 6.198441e-02, 4.928023e-11, 1.444226e-10, 9.164284e-01
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5.208333e-03, 9.341691e-02, 8.245691e+01, 1.159065e+03, 1.941205e-02, 1.098854e-04, 5.510523e-08, 1.071437e-07, 4.832682e-06, 7.089609e-02, 1.002340e-10, 6.463488e-10, 9.095770e-01
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5.416667e-03, 6.496586e-02, 8.637684e+01, 1.284134e+03, 1.743851e-02, 1.306843e-04, 1.887550e-07, 2.453501e-07, 1.366427e-05, 7.946848e-02, 2.407406e-10, 2.155729e-09, 9.029482e-01
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5.625000e-03, 3.204257e-02, 8.966764e+01, 1.410803e+03, 1.557048e-02, 1.527244e-04, 5.653004e-07, 6.110233e-07, 3.362812e-05, 8.759461e-02, 6.273083e-10, 5.103353e-09, 8.966474e-01
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5.833333e-03, -4.899930e-03, 9.227908e+01, 1.537708e+03, 1.380354e-02, 1.757567e-04, 1.519789e-06, 1.590226e-06, 7.399904e-05, 9.519866e-02, 1.621646e-09, 8.673491e-09, 8.907449e-01
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6.041667e-03, -4.531027e-02, 9.419510e+01, 1.663526e+03, 1.213319e-02, 1.995189e-04, 3.751334e-06, 4.172933e-06, 1.488170e-04, 1.022290e-01, 4.141262e-09, 1.184807e-08, 8.852815e-01
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6.250000e-03, -8.857315e-02, 9.543885e+01, 1.786983e+03, 1.055490e-02, 2.236973e-04, 8.665889e-06, 1.081086e-05, 2.784618e-04, 1.086542e-01, 1.041891e-08, 1.474245e-08, 8.802692e-01
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6.458333e-03, -1.340350e-01, 9.604797e+01, 1.906792e+03, 9.064876e-03, 2.478686e-04, 1.904671e-05, 2.757548e-05, 4.919576e-04, 1.144453e-01, 2.524717e-08, 1.810216e-08, 8.757034e-01
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6.666667e-03, -1.810114e-01, 9.606867e+01, 2.021552e+03, 7.660578e-03, 2.713710e-04, 4.038922e-05, 6.961325e-05, 8.303523e-04, 1.195610e-01, 5.793262e-08, 2.296794e-08, 8.715666e-01
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6.875000e-03, -2.287769e-01, 9.555130e+01, 2.129591e+03, 6.341884e-03, 2.930395e-04, 8.353991e-05, 1.750997e-04, 1.350923e-03, 1.239261e-01, 1.259747e-07, 3.081943e-08, 8.678293e-01
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7.083333e-03, -2.765343e-01, 9.454701e+01, 2.228760e+03, 5.113334e-03, 3.107242e-04, 1.694253e-04, 4.381973e-04, 2.128846e-03, 1.273940e-01, 2.624901e-07, 4.374077e-08, 8.644452e-01
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7.187500e-03, -3.000777e-01, 9.387604e+01, 2.273953e+03, 4.530998e-03, 3.170138e-04, 2.402907e-04, 7.068020e-04, 2.644141e-03, 1.287163e-01, 3.790224e-07, 5.324761e-08, 8.628440e-01
|
||||
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|
||||
1.046875e-02, -1.743565e-01, 4.100011e+01, 4.760463e+02, 6.352174e-06, 8.876826e-11, 6.089466e-07, 1.609768e-01, 1.651594e-06, 8.772308e-03, 1.553902e-06, 1.339628e-06, 8.302394e-01
|
||||
1.052083e-02, -1.677955e-01, 4.031514e+01, 4.474881e+02, 5.958578e-06, 4.359796e-11, 4.475016e-07, 1.619237e-01, 1.231835e-06, 7.434356e-03, 1.115542e-06, 1.120704e-06, 8.306321e-01
|
||||
1.062500e-02, -1.578361e-01, 3.909594e+01, 4.009133e+02, 5.180663e-06, 1.210061e-11, 2.541337e-07, 1.634911e-01, 7.108167e-07, 5.156998e-03, 5.951467e-07, 7.559662e-07, 8.313444e-01
|
||||
1.072917e-02, -1.517888e-01, 3.806806e+01, 3.666262e+02, 4.456899e-06, 3.705307e-12, 1.499351e-07, 1.646292e-01, 4.218385e-07, 3.453229e-03, 3.242265e-07, 4.910969e-07, 8.319118e-01
|
||||
1.083333e-02, -1.493040e-01, 3.721387e+01, 3.427136e+02, 3.799905e-06, 1.254915e-12, 9.153491e-08, 1.654163e-01, 2.572698e-07, 2.247183e-03, 1.806770e-07, 3.093737e-07, 8.323319e-01
|
||||
1.093750e-02, -1.497880e-01, 3.650248e+01, 3.268737e+02, 3.217064e-06, 4.654749e-13, 5.757441e-08, 1.659367e-01, 1.610500e-07, 1.436311e-03, 1.031509e-07, 1.912282e-07, 8.326232e-01
|
||||
1.104167e-02, -1.525445e-01, 3.589807e+01, 3.168528e+02, 2.710073e-06, 1.870829e-13, 3.720863e-08, 1.662675e-01, 1.034370e-07, 9.150377e-04, 6.065061e-08, 1.179984e-07, 8.328144e-01
|
||||
1.125000e-02, -1.620678e-01, 3.486931e+01, 3.066848e+02, 1.897097e-06, 3.802003e-14, 1.696731e-08, 1.666092e-01, 4.656624e-08, 3.719334e-04, 2.288119e-08, 4.492764e-08, 8.330168e-01
|
||||
1.145833e-02, -1.741036e-01, 3.395933e+01, 3.025830e+02, 1.314795e-06, 8.480769e-15, 7.920290e-09, 1.667495e-01, 2.145650e-08, 1.478759e-04, 8.656124e-09, 1.663669e-08, 8.331012e-01
|
||||
1.166667e-02, -1.871326e-01, 3.310128e+01, 3.010380e+02, 9.100170e-07, 2.103431e-15, 3.840260e-09, 1.668038e-01, 1.028071e-08, 6.107241e-05, 3.449284e-09, 6.435149e-09, 8.331342e-01
|
||||
1.208333e-02, -2.134537e-01, 3.142988e+01, 3.002056e+02, 4.377538e-07, 1.790541e-16, 1.036905e-09, 1.668342e-01, 2.728221e-09, 1.259437e-05, 6.649883e-10, 1.196937e-09, 8.331528e-01
|
||||
1.250000e-02, -2.388297e-01, 2.977251e+01, 3.000440e+02, 2.121256e-07, 1.817064e-17, 2.971585e-10, 1.668404e-01, 7.697912e-10, 2.803072e-06, 1.386341e-10, 2.417372e-10, 8.331566e-01
|
||||
1.333333e-02, -2.856562e-01, 2.646367e+01, 3.000036e+02, 5.298517e-08, 3.882491e-19, 3.508431e-11, 1.668420e-01, 8.917282e-11, 2.396486e-07, 1.067422e-11, 1.831884e-11, 8.331577e-01
|
||||
1.416667e-02, -3.270019e-01, 2.315565e+01, 3.000003e+02, 1.246911e-08, 7.988002e-21, 3.779701e-12, 1.668422e-01, 9.422037e-12, 1.849331e-08, 7.347205e-13, 1.248275e-12, 8.331578e-01
|
||||
1.500000e-02, -3.628377e-01, 1.984770e+01, 3.000000e+02, 3.158476e-09, 2.202269e-22, 4.616822e-13, 1.668422e-01, 1.129906e-12, 1.642462e-09, 5.839427e-14, 9.835327e-14, 8.331578e-01
|
||||
1.666667e-02, -4.179701e-01, 1.323180e+01, 3.000000e+02, 3.277762e-10, 9.383206e-25, 2.039906e-14, 1.668422e-01, 4.891807e-14, 5.122105e-11, 1.613980e-15, 2.697179e-15, 8.331578e-01
|
||||
1.833333e-02, -4.510496e-01, 6.615899e+00, 3.000000e+02, 3.192308e-11, 3.598017e-27, 8.397886e-16, 1.668422e-01, 1.973086e-15, 1.485939e-12, 4.147151e-17, 6.877400e-17, 8.331578e-01
|
||||
2.000000e-02, -4.620761e-01, 0.000000e+00, 3.000000e+02, 3.048127e-12, 5.118502e-28, 3.381245e-17, 1.668422e-01, 7.783186e-17, 4.213639e-14, 1.041417e-18, 1.713575e-18, 8.331578e-01
|
||||
|
Loading…
Add table
Reference in a new issue