hirshfeld_oct_m::hirshfeld_t Type Reference

Detailed Description

Definition at line 147 of file hirshfeld.F90.

Private Attributes
class(mesh_t), pointer	mesh
type(atom_t), dimension(:), pointer	atom
real(real64), dimension(:,:), pointer	pos
integer	natoms
type(lattice_vectors_t), pointer	latt
real(real64), dimension(:), allocatable	total_density
	(meshnp) More...
real(real64), dimension(:), allocatable	free_volume
	(natoms) More...
real(real64), dimension(:,:), allocatable	free_vol_r3
	(meshnp, natoms) More...
integer	nspin
type(namespace_t)	namespace

Member Data Documentation

mesh

class(mesh_t), pointer hirshfeld_oct_m::hirshfeld_t::mesh

private

Definition at line 149 of file hirshfeld.F90.

atom

type(atom_t), dimension(:), pointer hirshfeld_oct_m::hirshfeld_t::atom

private

Definition at line 150 of file hirshfeld.F90.

pos

real(real64), dimension(:,:), pointer hirshfeld_oct_m::hirshfeld_t::pos

private

Definition at line 151 of file hirshfeld.F90.

natoms

integer hirshfeld_oct_m::hirshfeld_t::natoms

private

Definition at line 152 of file hirshfeld.F90.

latt

type(lattice_vectors_t), pointer hirshfeld_oct_m::hirshfeld_t::latt

private

Definition at line 153 of file hirshfeld.F90.

total_density

real(real64), dimension(:), allocatable hirshfeld_oct_m::hirshfeld_t::total_density

private

(meshnp)

Definition at line 154 of file hirshfeld.F90.

free_volume

real(real64), dimension(:), allocatable hirshfeld_oct_m::hirshfeld_t::free_volume

private

(natoms)

Definition at line 155 of file hirshfeld.F90.

free_vol_r3

real(real64), dimension(:,:), allocatable hirshfeld_oct_m::hirshfeld_t::free_vol_r3

private

(meshnp, natoms)

Definition at line 156 of file hirshfeld.F90.

nspin

integer hirshfeld_oct_m::hirshfeld_t::nspin

private

Definition at line 157 of file hirshfeld.F90.

namespace

type(namespace_t) hirshfeld_oct_m::hirshfeld_t::namespace

private

Definition at line 158 of file hirshfeld.F90.

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

• hamiltonian/hirshfeld.F90