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NEB.getEnergy()

pele /
Transition States (pele.transition_states) /
pele.transition_states.NEB /
pele.transition_states.NEB.getEnergy

pele.transition_states.NEB.getEnergy#

NEB.getEnergy(coords)[source]#: this is a very dumb way of getting the energy. it should be replaced

pele.transition_states.NEB.copy

pele.transition_states.NEB.getEnergyGradient

2012–2026, the pele developers

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