!-----------------------------------------------------------------------------------!
! Bader charge density analysis program
!  Module with ion data structure
!-----------------------------------------------------------------------------------!

MODULE ions_mod
  USE kind_mod
  IMPLICIT NONE

  TYPE :: ions_obj
    REAL(q2), ALLOCATABLE, DIMENSION(:,:) :: r_car, r_dir, r_lat
    REAL(q2), ALLOCATABLE, DIMENSION(:) :: ion_chg
    REAL(q2), DIMENSION(3,3) :: lattice, dir2car, car2dir
    INTEGER, ALLOCATABLE, DIMENSION(:) :: num_ion
    INTEGER, ALLOCATABLE, DIMENSION(:) :: atomic_num
    CHARACTER*330:: name_ion
    INTEGER :: niontypes,nions
    REAL(q2) :: scalefactor
  END TYPE

  PRIVATE
  PUBLIC :: ions_obj
!-----------------------------------------------------------------------------------!

END MODULE ions_mod