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NeighborListPotentialBuild.getEnergy()

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

pele.utils.neighbor_list.NeighborListPotentialBuild.getEnergy#

NeighborListPotentialBuild.getEnergy(coords)[source]#: return the energy at the given coordinates

pele.utils.neighbor_list.NeighborListPotentialBuild.buildList

pele.utils.neighbor_list.NeighborListPotentialBuild.getEnergyGradient

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