pymatgen.optimization.linear_assignment module

class LinearAssignment

Bases: object

This class finds the solution to the Linear Assignment Problem. It finds a minimum cost matching between two sets, given a cost matrix.

This class is an implementation of the LAPJV algorithm described in: R. Jonker, A. Volgenant. A Shortest Augmenting Path Algorithm for Dense and Sparse Linear Assignment Problems. Computing 38, 325-340 (1987)

  • costs – The cost matrix of the problem. cost[i,j] should be the cost of matching x[i] to y[j]. The cost matrix may be rectangular
  • epsilon – Tolerance for determining if solution vector is < 0