pele.utils.neighbor_list.NeighborListPotentialBuild.getHessian

NeighborListPotentialBuild.getHessian(coords)[source]

return the hessian

Previous topic

pele.utils.neighbor_list.NeighborListPotentialBuild.getGradient

Next topic

pele.utils.neighbor_list.NeighborListPotentialBuild.test_potential