electron_shell Derived Type

type, public, bind(c) :: electron_shell


Inherits

type~~electron_shell~~InheritsGraph type~electron_shell electron_shell c_ptr c_ptr type~electron_shell->c_ptr num_expo, expo, coef, ecp_am, ecp_rex, ecp_coord, ecp_zn

Inherited by

type~~electron_shell~~InheritedByGraph type~electron_shell electron_shell type~information information type~information->type~electron_shell elshell

Components

Type Visibility Attributes Name Initial
integer(kind=c_int), public :: id = 0
integer(kind=c_int), public :: element_id = -1
integer(kind=c_int), public :: ang_mom = 0
integer(kind=c_int), public :: ecp_nam = 0
type(c_ptr), public :: num_expo
type(c_ptr), public :: expo
type(c_ptr), public :: coef
type(c_ptr), public :: ecp_am
type(c_ptr), public :: ecp_rex
type(c_ptr), public :: ecp_coord
type(c_ptr), public :: ecp_zn

Source Code

  type, public, bind(c) :: electron_shell
    integer(c_int) :: id = 0
    integer(c_int) :: element_id = -1
!    integer(c_int) :: num_expo = 0
    integer(c_int) :: ang_mom = 0
    integer(c_int) :: ecp_nam = 0
    type(c_ptr) :: num_expo
    type(c_ptr) :: expo
    type(c_ptr) :: coef
    type(c_ptr) :: ecp_am
    type(c_ptr) :: ecp_rex
    type(c_ptr) :: ecp_coord
    type(c_ptr) :: ecp_zn
  end type electron_shell