atom_data_type Derived Type

type, public :: atom_data_type

================================================== Contains information about the atoms (and maybe the cell...) of the system being calculated. ==================================================


Inherited by

type~~atom_data_type~~InheritedByGraph type~atom_data_type atom_data_type type~lib_common_type lib_common_type type~lib_common_type->type~atom_data_type atom_data

Components

Type Visibility Attributes Name Initial
real(kind=dp), public, allocatable :: pos_cart(:,:,:)
integer, public, allocatable :: species_num(:)
character(len=maxlen), public, allocatable :: label(:)
character(len=2), public, allocatable :: symbol(:)
integer, public :: num_atoms = 0
integer, public :: num_species = 0

Source Code

  type atom_data_type
    !!==================================================
    !! Contains information about the atoms (and maybe the cell...) of the system being calculated.
    !!==================================================
    real(kind=dp), allocatable :: pos_cart(:, :, :)
    integer, allocatable :: species_num(:)
    character(len=maxlen), allocatable :: label(:)
    character(len=2), allocatable :: symbol(:)
    integer :: num_atoms = 0
    integer :: num_species = 0
  end type atom_data_type