SBNeighborSearchParticleSystemPBC#

See also

SAMSON SDK: SBSNeighborSearchParticleSystemPBC

class samson.SBNeighborSearchParticleSystemPBC#

Bases: SBNeighborSearch

Base class for neighbor-search algorithms on particle systems with periodic boundary conditions.

Neighborhood queries account for periodic-image corrections.

getNeighborVector(self: samson.SBNeighborSearchParticleSystemPBC, i: int) → list[samson.SBAtom]#

Returns neighbors of the i-th particle as a Python list of atoms.

getNeighbors(*args, **kwargs)#

Overloaded function.

  1. getNeighbors(self: samson.SBNeighborSearchParticleSystemPBC, position: samson.SBPhysicalVector3, radius: samson.SBQuantity.unitsSI) -> list[samson.SBAtom]

Returns atoms within radius of position with periodic correction.

  1. getNeighbors(self: samson.SBNeighborSearchParticleSystemPBC, box: samson.SBPhysicalIAVector3) -> list[samson.SBAtom]

Returns atoms inside an axis-aligned interval box.

initializeNeighborLists(self: samson.SBNeighborSearchParticleSystemPBC) → None#

Initializes neighbor lists.

updateNeighborLists(self: samson.SBNeighborSearchParticleSystemPBC) → None#

Updates neighbor lists.