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FreezePot.getGradient()

pele /
Utilities (pele.utils) /
pele.utils.frozen_atoms.FreezePot /
pele.utils.frozen_atoms.FreezePot.getGradient

pele.utils.frozen_atoms.FreezePot.getGradient#

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

pele.utils.frozen_atoms.FreezePot.getEnergyList

pele.utils.frozen_atoms.FreezePot.getHessian

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