pele.potentials.CombinedPotential

class pele.potentials.CombinedPotential

Sum native potentials added with add_potential.

Create an empty potential, then add each component before evaluating it.

Methods

NumericalDerivative(x[, eps])
NumericalHessian(x[, eps])
add_potential(potential)
getEnergy(x)
getEnergyGradient(x)
getEnergyGradientHessian(x)
getEnergyGradientHessianInPlace(x, grad, hess)
getEnergyGradientInPlace(x, grad)
getGradient(x)
getHessian(x)
getHessianInPlace(x, hess)	In Place gradient and hessian calls

Attributes