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NeighborListPotentialMulti.getHessian()

pele /
Utilities (pele.utils) /
pele.utils.neighbor_list.NeighborListPotentialMulti /
pele.utils.neighbor_list.NeighborListPotentialMulti.getHessian

pele.utils.neighbor_list.NeighborListPotentialMulti.getHessian#

NeighborListPotentialMulti.getHessian(coords)[source]#: return the hessian

pele.utils.neighbor_list.NeighborListPotentialMulti.getGradient

pele.utils.neighbor_list.NeighborListPotentialMulti.needNewList

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