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XYModel.getGradient()

pele /
Potentials (pele.potentials) /
pele.potentials.XYModel /
pele.potentials.XYModel.getGradient

pele.potentials.XYModel.getGradient#

XYModel.getGradient(coords)[source]#: return the gradient at the given coordinates

pele.potentials.XYModel.getEnergyGradientNumerical

pele.potentials.XYModel.getHessian

2012–2026, the pele developers

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