gaussian(x, coefficients[, phases])
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Gaussian basis function. |
harmonic(x, k, eq[, order])
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Harmonic term. |
harmonic_harmonic_coupled(x0, x1, eq0, eq1, k)
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harmonic_harmonic_periodic_coupled(theta0, ...)
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harmonic_periodic_coupled(x_harmonic, ...[, ...])
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linear_mixture(x, coefficients[, phases])
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Linear mixture basis function. |
linear_mixture_to_original(k1, k2, b1, b2)
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Translating linear mixture coefficients back to original parameterization. |
lj(x, epsilon, sigma[, order, coefficients, ...])
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Lennard-Jones term. |
periodic(x, k[, periodicity, phases])
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Periodic term. |
periodic_fixed_phases(dihedrals, ks)
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Periodic torsion term with n_phases = 6, periodicities = 1..n_phases, phases = zeros |