Contains neighbors list of an atom. More...

Data Fields
integer, dimension(3)	pbc_copies

integer, dimension(:), allocatable	n_rad

integer, dimension(:), allocatable	n_ang1

integer, dimension(:), allocatable	n_ang2

integer, dimension(:, :), allocatable	ind_rad

integer, dimension(:, :), allocatable	ind_ang1

integer, dimension(:, :), allocatable	ind_ang2

real(kind=dp), dimension(:, :, :), allocatable	dist_rad

real(kind=dp), dimension(:, :, :), allocatable	dist_ang1

real(kind=dp), dimension(:, :, :), allocatable	dist_ang2

Detailed Description

Contains neighbors list of an atom.

Parameters

dist	- distance vectors + norm DIM(4,nat)
n	- number of neighbors

Author: Christoph Schran (chris.nosp@m.toph.nosp@m..schr.nosp@m.an@r.nosp@m.ub.de)

Date: 2020-10-10

Definition at line 230 of file nnp_environment_types.F.

Field Documentation

◆ pbc_copies

integer, dimension(3) nnp_environment_types::nnp_neighbor_type::pbc_copies

Definition at line 231 of file nnp_environment_types.F.

◆ n_rad

integer, dimension(:), allocatable nnp_environment_types::nnp_neighbor_type::n_rad

Definition at line 232 of file nnp_environment_types.F.

◆ n_ang1

integer, dimension(:), allocatable nnp_environment_types::nnp_neighbor_type::n_ang1

Definition at line 233 of file nnp_environment_types.F.

◆ n_ang2

integer, dimension(:), allocatable nnp_environment_types::nnp_neighbor_type::n_ang2

Definition at line 234 of file nnp_environment_types.F.

◆ ind_rad

integer, dimension(:, :), allocatable nnp_environment_types::nnp_neighbor_type::ind_rad

Definition at line 235 of file nnp_environment_types.F.

◆ ind_ang1

integer, dimension(:, :), allocatable nnp_environment_types::nnp_neighbor_type::ind_ang1

Definition at line 236 of file nnp_environment_types.F.

◆ ind_ang2

integer, dimension(:, :), allocatable nnp_environment_types::nnp_neighbor_type::ind_ang2

Definition at line 237 of file nnp_environment_types.F.

◆ dist_rad

real(kind=dp), dimension(:, :, :), allocatable nnp_environment_types::nnp_neighbor_type::dist_rad

Definition at line 238 of file nnp_environment_types.F.

◆ dist_ang1

real(kind=dp), dimension(:, :, :), allocatable nnp_environment_types::nnp_neighbor_type::dist_ang1

Definition at line 239 of file nnp_environment_types.F.

◆ dist_ang2

real(kind=dp), dimension(:, :, :), allocatable nnp_environment_types::nnp_neighbor_type::dist_ang2

Definition at line 240 of file nnp_environment_types.F.

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

nnp_environment_types.F

Data Fields