epot_oct_m::epot_t Type Reference

Detailed Description

Definition at line 172 of file epot.F90.

Private Attributes
real(real64), dimension(:), allocatable	vpsl
	the local part of the pseudopotentials More...
type(projector_t), dimension(:), allocatable	proj
	non-local projectors More...
logical	non_local
integer	natoms
real(real64), dimension(:), allocatable	e_field
	static electric field More...
real(real64), dimension(:), allocatable	v_ext
	static scalar potential - 1:grnp_part More...
real(real64), dimension(:), allocatable	b_field
	static magnetic field More...
real(real64), dimension(:,:), allocatable	a_static
	static vector potential More...
integer	reltype
	type of relativistic correction to use More...
real(real64)	gyromagnetic_ratio
	The gyromagnetic ratio (-2.0 for the electron, but different if we treat effective electrons in a quantum dot. It affects the spin Zeeman term.) More...
real(real64)	so_strength
	SO prefactor (1.0 = normal SO, 0.0 = no SO) More...
real(real64)	eii
	the ion-ion energy and force More...
real(real64), dimension(:, :), allocatable	fii
real(real64), dimension(:, :), allocatable	vdw_forces
real(real64), dimension(:), allocatable	photon_forces
real(real64), dimension(3, 3)	vdw_stress
	ion-ion stress More...
real(real64), dimension(:,:), allocatable, private	local_potential
logical, private	local_potential_precalculated
logical, private	have_density
type(poisson_t), pointer, private	poisson_solver
logical	nlcc = .false.
	does any species have non-local core corrections? More...

Member Data Documentation

vpsl

real(real64), dimension(:), allocatable epot_oct_m::epot_t::vpsl

private

the local part of the pseudopotentials

Definition at line 176 of file epot.F90.

proj

type(projector_t), dimension(:), allocatable epot_oct_m::epot_t::proj

private

non-local projectors

Definition at line 178 of file epot.F90.

non_local

logical epot_oct_m::epot_t::non_local

private

Definition at line 179 of file epot.F90.

natoms

integer epot_oct_m::epot_t::natoms

private

Definition at line 180 of file epot.F90.

e_field

real(real64), dimension(:), allocatable epot_oct_m::epot_t::e_field

private

static electric field

Definition at line 183 of file epot.F90.

v_ext

real(real64), dimension(:), allocatable epot_oct_m::epot_t::v_ext

private

static scalar potential - 1:grnp_part

Definition at line 184 of file epot.F90.

b_field

real(real64), dimension(:), allocatable epot_oct_m::epot_t::b_field

private

static magnetic field

Definition at line 185 of file epot.F90.

a_static

real(real64), dimension(:,:), allocatable epot_oct_m::epot_t::a_static

private

static vector potential

Definition at line 186 of file epot.F90.

reltype

integer epot_oct_m::epot_t::reltype

private

type of relativistic correction to use

Definition at line 187 of file epot.F90.

gyromagnetic_ratio

real(real64) epot_oct_m::epot_t::gyromagnetic_ratio

private

The gyromagnetic ratio (-2.0 for the electron, but different if we treat effective electrons in a quantum dot. It affects the spin Zeeman term.)

Definition at line 191 of file epot.F90.

so_strength

real(real64) epot_oct_m::epot_t::so_strength

private

SO prefactor (1.0 = normal SO, 0.0 = no SO)

Definition at line 194 of file epot.F90.

eii

real(real64) epot_oct_m::epot_t::eii

private

the ion-ion energy and force

Definition at line 197 of file epot.F90.

fii

real(real64), dimension(:, :), allocatable epot_oct_m::epot_t::fii

private

Definition at line 198 of file epot.F90.

vdw_forces

real(real64), dimension(:, :), allocatable epot_oct_m::epot_t::vdw_forces

private

Definition at line 199 of file epot.F90.

photon_forces

real(real64), dimension(:), allocatable epot_oct_m::epot_t::photon_forces

private

Definition at line 200 of file epot.F90.

vdw_stress

real(real64), dimension(3, 3) epot_oct_m::epot_t::vdw_stress

private

ion-ion stress

Definition at line 203 of file epot.F90.

local_potential

real(real64), dimension(:,:), allocatable, private epot_oct_m::epot_t::local_potential

private

Definition at line 205 of file epot.F90.

local_potential_precalculated

logical, private epot_oct_m::epot_t::local_potential_precalculated

private

Definition at line 206 of file epot.F90.

have_density

logical, private epot_oct_m::epot_t::have_density

private

Definition at line 208 of file epot.F90.

poisson_solver

type(poisson_t), pointer, private epot_oct_m::epot_t::poisson_solver

private

Definition at line 209 of file epot.F90.

nlcc

logical epot_oct_m::epot_t::nlcc = .false.

private

does any species have non-local core corrections?

Definition at line 211 of file epot.F90.

---

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

• hamiltonian/epot.F90