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BasePotential.getEnergy()

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

pele.potentials.BasePotential.getEnergy#

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

pele.potentials.BasePotential.NumericalHessian

pele.potentials.BasePotential.getEnergyGradient

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