adjlist.f90 File Reference

Sparse neighbour map / adjacency list implementation. More...

Data Types
module	tblite_adjlist::adjacency_list
	Neighbourlist in CSR format. More...

Modules
module	tblite_adjlist
	Implementation of a sparse neighbour map in compressed sparse row format.

Functions/Subroutines
subroutine, public	tblite_adjlist::new_adjacency_list (self, mol, trans, cutoff, complete)
	Create new neighbourlist for a given geometry and cutoff.

Detailed Description

Sparse neighbour map / adjacency list implementation.