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Currently, LRHandlerSRCoulomb handles derivatives of the long range coulomb potential. I don't think this has been unit tested and there's enough gossip indicating that this probably doesn't work. Need to shift over derivative computation to the Ewald3D handler (which is unit tested) until LRHandler or LRHandlerSRCoulomb are tested with derivatives.
The text was updated successfully, but these errors were encountered:
Currently, LRHandlerSRCoulomb handles derivatives of the long range coulomb potential. I don't think this has been unit tested and there's enough gossip indicating that this probably doesn't work. Need to shift over derivative computation to the Ewald3D handler (which is unit tested) until LRHandler or LRHandlerSRCoulomb are tested with derivatives.
The text was updated successfully, but these errors were encountered: