Detailed Description

Definition at line 118 of file atom.F90.

Public Member Functions
procedure	copy => atom_copy

generic	assignment => copy

final	atom_finalize

Public Attributes
character(len=label_len)	label = ""

class(species_t), pointer	species => null()
	pointer to species More...

integer, dimension(:), allocatable	c
	Constrain on te atom (0 or 1) More...

real(real64), dimension(:), allocatable	f_ii
	Ion-Ion part. More...

real(real64), dimension(:), allocatable	f_vdw
	Van der Waals part. More...

real(real64), dimension(:), allocatable	f_loc
	Local electronic part. More...

real(real64), dimension(:), allocatable	f_nl
	NL electronic part. More...

real(real64), dimension(:), allocatable	f_fields
	Lasers. More...

real(real64), dimension(:), allocatable	f_u
	Hubbard forces. More...

real(real64), dimension(:), allocatable	f_scf
	SCF forces. More...

real(real64), dimension(:), allocatable	f_nlcc
	NLCC forces. More...

real(real64), dimension(:), allocatable	f_photons
	Photons forces. More...

Member Function/Subroutine Documentation

◆ copy()

procedure atom_oct_m::atom_t::copy

Definition at line 135 of file atom.F90.

◆ assignment()

generic atom_oct_m::atom_t::assignment

Definition at line 136 of file atom.F90.

◆ atom_finalize()

final atom_oct_m::atom_t::atom_finalize

final

Definition at line 137 of file atom.F90.

Member Data Documentation

◆ label

character(len=label_len) atom_oct_m::atom_t::label = ""

Definition at line 120 of file atom.F90.

◆ species

class(species_t), pointer atom_oct_m::atom_t::species => null()

pointer to species

Definition at line 121 of file atom.F90.

◆ c

integer, dimension(:), allocatable atom_oct_m::atom_t::c

Constrain on te atom (0 or 1)

Definition at line 122 of file atom.F90.

◆ f_ii

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_ii

Ion-Ion part.

Definition at line 125 of file atom.F90.

◆ f_vdw

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_vdw

Van der Waals part.

Definition at line 126 of file atom.F90.

◆ f_loc

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_loc

Local electronic part.

Definition at line 127 of file atom.F90.

◆ f_nl

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_nl

NL electronic part.

Definition at line 128 of file atom.F90.

◆ f_fields

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_fields

Lasers.

Definition at line 129 of file atom.F90.

◆ f_u

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_u

Hubbard forces.

Definition at line 130 of file atom.F90.

◆ f_scf

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_scf

SCF forces.

Definition at line 131 of file atom.F90.

◆ f_nlcc

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_nlcc

NLCC forces.

Definition at line 132 of file atom.F90.

◆ f_photons

real(real64), dimension(:), allocatable atom_oct_m::atom_t::f_photons

Photons forces.

Definition at line 133 of file atom.F90.

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

ions/atom.F90