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NeighborListSubsetBuild.getHessian()

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

pele.utils.neighbor_list.NeighborListSubsetBuild.getHessian#

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

pele.utils.neighbor_list.NeighborListSubsetBuild.getGradient

pele.utils.neighbor_list.NeighborListSubsetBuild.test_potential

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