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LJpshift.getEnergy()

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

pele.potentials.LJpshift.getEnergy#

LJpshift.getEnergy(coords)[source]#: return the energy at the given coordinates

pele.potentials.LJpshift.NumericalHessian

pele.potentials.LJpshift.getEnergyGradient

2012–2026, the pele developers

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