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PairwisePotentialInterface.getInteractionGradient()

pele /
Potentials (pele.potentials) /
pele.potentials._pele.PairwisePotentialInterface /
pele.potentials._pele.PairwisePotentialInterface.getInteractionGradient

pele.potentials._pele.PairwisePotentialInterface.getInteractionGradient#

PairwisePotentialInterface.getInteractionGradient(r, atomi, atomj)#

pele.potentials._pele.PairwisePotentialInterface.getHessianInPlace

pele.potentials._pele.PairwisePotentialInterface.getInteractionHessian

2012–2026, the pele developers

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