Closed slaymuel closed 5 years ago
There is a member variable in Particle called farNeighbours. This is a matrix and contains all atoms in the same particle separated by three or more bonds. Loop over this in the long range potentials. Also between atoms and atoms in other particles.
If anyone feel like coding, feel free to do this :)
There is a member variable in Particle called farNeighbours. This is a matrix and contains all atoms in the same particle separated by three or more bonds. Loop over this in the long range potentials. Also between atoms and atoms in other particles.