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ATLJ.getGradient()

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

pele.potentials.ATLJ.ATLJ.getGradient#

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

pele.potentials.ATLJ.ATLJ.getEnergySlow

pele.potentials.ATLJ.ATLJ.getHessian

2012–2026, the pele developers

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