csr_list Derived Type

type, public :: csr_list

Neighborlist in CSR format


Components

Type Visibility Attributes Name Initial
logical, public :: complete

Complete asymmetric neighbor list flag
real(kind=wp), public, allocatable :: cutoff

Realspace cutoff for neighborlist generation
integer(kind=i8), public, allocatable :: inl(:)

Offset index in the neighbor map
integer, public, allocatable :: nlat(:)

Index of the neighboring atom
integer, public, allocatable :: nltr(:)

Cell index of the neighboring atom
real(kind=wp), public, allocatable :: trans(:,:)

Lattice translation vector

Source Code

   type :: csr_list

      !> Realspace cutoff for neighborlist generation
      real(wp), allocatable :: cutoff

      !> Complete asymmetric neighbor list flag
      logical :: complete

      !> Offset index in the neighbor map
      integer(i8), allocatable :: inl(:)

      !> Index of the neighboring atom
      integer, allocatable :: nlat(:)

      !> Cell index of the neighboring atom
      integer, allocatable :: nltr(:)

      !> Lattice translation vector
      real(wp), allocatable :: trans(:, :)
   end type csr_list