pele.potentials.BasePotentialAtomistic#

class pele.potentials.BasePotentialAtomistic[source]#

Base class for all potentials that can use interaction lists

See also

Methods

`getEnergyGradientList`(coords, ilist)	return the energy and gradient of select interactions defined in ilist
`getEnergyList`(coords, ilist)	the energy of select interactions defined in ilist

Attributes