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LJpshift.NumericalDerivative()

pele /
Potentials (pele.potentials) /
pele.potentials.LJpshift /
pele.potentials.LJpshift.NumericalDerivative

pele.potentials.LJpshift.NumericalDerivative#

LJpshift.NumericalDerivative(coords, eps=1e-06)[source]#: return the gradient calculated numerically

pele.potentials.LJpshift

pele.potentials.LJpshift.NumericalHessian

2012–2026, the pele developers

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