pele.potentials.LJ¶

class pele.potentials.LJ¶

define the python interface to the c++ LJ implementation

Methods

`NumericalDerivative`
`NumericalHessian`
`getEnergy`
`getEnergyGradient`
`getEnergyGradientHessian`
`getGradient`
`getHessian`

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