tblite_adjlist::adjacency_list Module Reference

Neighbourlist in CSR format. More...

Data Fields
integer, dimension(:), allocatable	inl
	Offset index in the neighbour map.
integer, dimension(:), allocatable	nnl
	Number of neighbours for each atom.
integer, dimension(:), allocatable	nlat
	Index of the neighbouring atom.
integer, dimension(:), allocatable	nltr
	Cell index of the neighbouring atom.

Detailed Description

Neighbourlist in CSR format.

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The documentation for this module was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/adjlist.f90