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LJpshift.getEnergyGradientNumerical()

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

pele.potentials.LJpshift.getEnergyGradientNumerical#

LJpshift.getEnergyGradientNumerical(coords)[source]#

pele.potentials.LJpshift.getEnergyGradientHessian

pele.potentials.LJpshift.getGradient

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