pele.utils.neighbor_list.NeighborListPotentialBuild.getEnergyGradient

NeighborListPotentialBuild.getEnergyGradient(coords)[source]

Previous topic

pele.utils.neighbor_list.NeighborListPotentialBuild.getEnergy

Next topic

pele.utils.neighbor_list.NeighborListPotentialBuild.getEnergyGradientHessian