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NeighborListPotentialBuild.getHessian()

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

pele.utils.neighbor_list.NeighborListPotentialBuild.getHessian#

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

pele.utils.neighbor_list.NeighborListPotentialBuild.getGradient

pele.utils.neighbor_list.NeighborListPotentialBuild.test_potential

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